[(9S,10S)-10-azanyl-7,8,9,10-tetrahydrobenzo[a]pyren-9-yl] benzoate

Systemtic Name: [(9S,10S)-10-azanyl-7,8,9,10-tetrahydrobenzo[a]pyren-9-yl] benzoate Openeye Name: [(9S,10S)-10-amino-7,8,9,10-tetrahydrobenzo[a]pyren-9-yl] benzoate CAS Name: benzoic acid [(9S,10S)-10-amino-7,8,9,10-tetrahydrobenzo[a]pyren-9-yl] ester IUPAC Name: [(9S,10S)-10-amino-7,8,9,10-tetrahydrobenzo[a]pyren-9-yl] benzoate Traditional Name: benzoic acid [(9S,10S)-10-amino-7,8,9,10-tetrahydrobenzo[a]pyren-9-yl] ester Formula: C27H21NO2 MolecularWeight: 391.46114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C1OC(=O)C3=CC=CC=C3)N)C4=C5C(=C2)C=CC6=C5C(=CC=C6)C=C4

Isomeric SMILES

C1CC2=C([C@@H]([C@H]1OC(=O)C3=CC=CC=C3)N)C4=C5C(=C2)C=CC6=C5C(=CC=C6)C=C4

InChI

InChI=1S/C27H21NO2/c28-26-22(30-27(29)18-5-2-1-3-6-18)14-12-20-15-19-10-9-16-7-4-8-17-11-13-21(25(20)26)24(19)23(16)17/h1-11,13,15,22,26H,12,14,28H2/t22-,26+/m0/s1