methyl 3-[[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]methyl]-1-phenyl-indole-6-carboxylate

Systemtic Name: methyl 3-[[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]methyl]-1-phenyl-indole-6-carboxylate Openeye Name: methyl 3-[[4-[3-(2-methylpropanoylamino)phenyl]-1-piperidyl]methyl]-1-phenyl-indole-6-carboxylate CAS Name: 3-[[4-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-1-piperidinyl]methyl]-1-phenyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]methyl]-1-phenylindole-6-carboxylate Traditional Name: 3-[[4-[3-(isobutyrylamino)phenyl]piperidino]methyl]-1-phenyl-indole-6-carboxylic acid methyl ester Formula: C32H35N3O3 MolecularWeight: 509.6386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CC3=CN(C4=C3C=CC(=C4)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CC3=CN(C4=C3C=CC(=C4)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C32H35N3O3/c1-22(2)31(36)33-27-9-7-8-24(18-27)23-14-16-34(17-15-23)20-26-21-35(28-10-5-4-6-11-28)30-19-25(32(37)38-3)12-13-29(26)30/h4-13,18-19,21-23H,14-17,20H2,1-3H3,(H,33,36)