[(7S,8R)-7-phenylazanyl-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] ethanoate

Systemtic Name: [(7S,8R)-7-phenylazanyl-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] ethanoate Openeye Name: [(7S,8R)-7-anilino-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] acetate CAS Name: acetic acid [(7S,8R)-7-anilino-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] ester IUPAC Name: [(7S,8R)-7-anilino-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] acetate Traditional Name: acetic acid [(7S,8R)-7-anilino-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] ester Formula: C28H23NO2 MolecularWeight: 405.48772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2=C(C1NC3=CC=CC=C3)C=C4C=CC5=C6C4=C2C=CC6=CC=C5

Isomeric SMILES

CC(=O)O[C@@H]1CCC2=C([C@@H]1NC3=CC=CC=C3)C=C4C=CC5=C6C4=C2C=CC6=CC=C5

InChI

InChI=1S/C28H23NO2/c1-17(30)31-25-15-14-22-23-13-12-19-7-5-6-18-10-11-20(27(23)26(18)19)16-24(22)28(25)29-21-8-3-2-4-9-21/h2-13,16,25,28-29H,14-15H2,1H3/t25-,28+/m1/s1