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

Systemtic Name: ethyl 3-[[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]methyl]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[4-[3-(2-methylpropanoylamino)phenyl]-1-piperidyl]methyl]-1H-indole-2-carboxylate CAS Name: 3-[[4-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-1-piperidinyl]methyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]methyl]-1H-indole-2-carboxylate Traditional Name: 3-[[4-[3-(isobutyrylamino)phenyl]piperidino]methyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)CN3CCC(CC3)C4=CC(=CC=C4)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)CN3CCC(CC3)C4=CC(=CC=C4)NC(=O)C(C)C

InChI

InChI=1S/C27H33N3O3/c1-4-33-27(32)25-23(22-10-5-6-11-24(22)29-25)17-30-14-12-19(13-15-30)20-8-7-9-21(16-20)28-26(31)18(2)3/h5-11,16,18-19,29H,4,12-15,17H2,1-3H3,(H,28,31)