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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > lsm-14141
organooxygen compound > lsm-14141

Preferred term

lsm-14141  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C28H29N3O3

has_functional_parent

inchi

  • InChI=1S/C28H29N3O3/c1-18(20-10-6-3-7-11-20)29-27(33)25-22(17-32)23-16-31-24(26(25)30-23)15-14-21(28(31)34)13-12-19-8-4-2-5-9-19/h2-15,18,22-23,25-26,30,32H,16-17H2,1H3,(H,29,33)/t18-,22+,23+,25-,26-/m0/s1

inchikey

  • FIIWKRFZHSLQJE-TXXKVYMASA-N

mass

  • 455.549

monoisotopicmass

  • 455.22089

smiles

  • C[C@@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C=CC5=CC=CC=C5)[C@@H]2N3)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:102795

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