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

Systemtic Name: methyl 4-chloranyl-5-oxidanyl-1-(phenylmethyl)benzo[g]indole-3-carboxylate Openeye Name: methyl 1-benzyl-4-chloro-5-hydroxy-benzo[g]indole-3-carboxylate CAS Name: 4-chloro-5-hydroxy-1-(phenylmethyl)-3-benzo[g]indolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-chloro-5-hydroxybenzo[g]indole-3-carboxylate Traditional Name: 1-benzyl-4-chloro-5-hydroxy-benz[g]indole-3-carboxylic acid methyl ester Formula: C21H16ClNO3 MolecularWeight: 365.80964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=C1C(=C(C3=CC=CC=C32)O)Cl)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN(C2=C1C(=C(C3=CC=CC=C32)O)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H16ClNO3/c1-26-21(25)16-12-23(11-13-7-3-2-4-8-13)19-14-9-5-6-10-15(14)20(24)18(22)17(16)19/h2-10,12,24H,11H2,1H3