ethyl 1-[3-(7-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(7-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(7-ethyl-1H-indol-3-yl)-3-(p-tolyl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-(7-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(7-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(7-ethyl-1H-indol-3-yl)-3-(p-tolyl)propanoyl]nipecotic acid ethyl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCCC(C3)C(=O)OCC)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCCC(C3)C(=O)OCC)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H34N2O3/c1-4-20-8-6-10-23-25(17-29-27(20)23)24(21-13-11-19(3)12-14-21)16-26(31)30-15-7-9-22(18-30)28(32)33-5-2/h6,8,10-14,17,22,24,29H,4-5,7,9,15-16,18H2,1-3H3