(phenylmethyl) 2-[(4-chlorophenyl)methyl]-5-oxidanyl-1H-benzo[g]indole-3-carboxylate

Systemtic Name: (phenylmethyl) 2-[(4-chlorophenyl)methyl]-5-oxidanyl-1H-benzo[g]indole-3-carboxylate Openeye Name: benzyl 2-[(4-chlorophenyl)methyl]-5-hydroxy-1H-benzo[g]indole-3-carboxylate CAS Name: 2-[(4-chlorophenyl)methyl]-5-hydroxy-1H-benzo[g]indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-chlorophenyl)methyl]-5-hydroxy-1H-benzo[g]indole-3-carboxylate Traditional Name: 2-(4-chlorobenzyl)-5-hydroxy-1H-benz[g]indole-3-carboxylic acid benzyl ester Formula: C27H20ClNO3 MolecularWeight: 441.9056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(NC3=C2C=C(C4=CC=CC=C43)O)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(NC3=C2C=C(C4=CC=CC=C43)O)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H20ClNO3/c28-19-12-10-17(11-13-19)14-23-25(27(31)32-16-18-6-2-1-3-7-18)22-15-24(30)20-8-4-5-9-21(20)26(22)29-23/h1-13,15,29-30H,14,16H2