(4-oxidanyl-4,5-dihydrobenzo[e]pyren-5-yl) 4-(dimethylamino)benzoate

Systemtic Name: (4-oxidanyl-4,5-dihydrobenzo[e]pyren-5-yl) 4-(dimethylamino)benzoate Openeye Name: (4-hydroxy-4,5-dihydrobenzo[e]pyren-5-yl) 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid (4-hydroxy-4,5-dihydrobenzo[e]pyren-5-yl) ester IUPAC Name: (4-hydroxy-4,5-dihydrobenzo[e]pyren-5-yl) 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid (4-hydroxy-4,5-dihydrobenzo[e]pyren-5-yl) ester Formula: C29H23NO3 MolecularWeight: 433.49782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)OC2C(C3=CC=CC4=C3C5=C(C=CC=C25)C6=CC=CC=C46)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)OC2C(C3=CC=CC4=C3C5=C(C=CC=C25)C6=CC=CC=C46)O

InChI

InChI=1S/C29H23NO3/c1-30(2)18-15-13-17(14-16-18)29(32)33-28-24-12-6-10-22-20-8-4-3-7-19(20)21-9-5-11-23(27(28)31)25(21)26(22)24/h3-16,27-28,31H,1-2H3