ethyl 5-methoxy-3-[[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]methyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-[[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]methyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-[[4-[3-(2-methylpropanoylamino)phenyl]-1-piperidyl]methyl]-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[4-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-1-piperidinyl]methyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]methyl]-1H-indole-2-carboxylate Traditional Name: 3-[[4-[3-(isobutyrylamino)phenyl]piperidino]methyl]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)CN3CCC(CC3)C4=CC(=CC=C4)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)CN3CCC(CC3)C4=CC(=CC=C4)NC(=O)C(C)C

InChI

InChI=1S/C28H35N3O4/c1-5-35-28(33)26-24(23-16-22(34-4)9-10-25(23)30-26)17-31-13-11-19(12-14-31)20-7-6-8-21(15-20)29-27(32)18(2)3/h6-10,15-16,18-19,30H,5,11-14,17H2,1-4H3,(H,29,32)