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

Systemtic Name: ethyl 1-[3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(7-ethyl-1H-indol-3-yl)-3-(m-tolyl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(7-ethyl-1H-indol-3-yl)-3-(m-tolyl)propanoyl]isonipecotic 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)N3CCC(CC3)C(=O)OCC)C4=CC=CC(=C4)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCC(CC3)C(=O)OCC)C4=CC=CC(=C4)C

InChI

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