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

Systemtic Name: ethyl 1-[3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]nipecotic acid ethyl ester Formula: C27H31ClN2O3 MolecularWeight: 466.99964

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN2O3/c1-3-18-7-5-9-22-24(16-29-26(18)22)23(19-10-12-21(28)13-11-19)15-25(31)30-14-6-8-20(17-30)27(32)33-4-2/h5,7,9-13,16,20,23,29H,3-4,6,8,14-15,17H2,1-2H3