ethyl 6-bromanyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-5-oxidanyl-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-5-oxidanyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-[[4-(o-tolyl)piperazin-1-yl]methyl]indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]indole-3-carboxylate Traditional Name: 1-benzyl-6-bromo-5-hydroxy-2-[[4-(o-tolyl)piperazino]methyl]indole-3-carboxylic acid ethyl ester Formula: C30H32BrN3O3 MolecularWeight: 562.49738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5C

InChI

InChI=1S/C30H32BrN3O3/c1-3-37-30(36)29-23-17-28(35)24(31)18-26(23)34(19-22-10-5-4-6-11-22)27(29)20-32-13-15-33(16-14-32)25-12-8-7-9-21(25)2/h4-12,17-18,35H,3,13-16,19-20H2,1-2H3