ethyl 1-[1-[(3-chlorophenyl)methyl]-4-ethoxy-indol-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[(3-chlorophenyl)methyl]-4-ethoxy-indol-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-[(3-chlorophenyl)methyl]-4-ethoxy-indole-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-4-ethoxy-2-indolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(3-chlorophenyl)methyl]-4-ethoxyindole-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(3-chlorobenzyl)-4-ethoxy-indole-2-carbonyl]nipecotic acid ethyl ester Formula: C26H29ClN2O4 MolecularWeight: 468.97246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1C=C(N2CC3=CC(=CC=C3)Cl)C(=O)N4CCCC(C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC2=C1C=C(N2CC3=CC(=CC=C3)Cl)C(=O)N4CCCC(C4)C(=O)OCC

InChI

InChI=1S/C26H29ClN2O4/c1-3-32-24-12-6-11-22-21(24)15-23(29(22)16-18-8-5-10-20(27)14-18)25(30)28-13-7-9-19(17-28)26(31)33-4-2/h5-6,8,10-12,14-15,19H,3-4,7,9,13,16-17H2,1-2H3