ethyl 1-[1-(3-fluorophenyl)carbonyl-6-(3-methylphenyl)piperidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(3-fluorophenyl)carbonyl-6-(3-methylphenyl)piperidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(3-fluorobenzoyl)-6-(m-tolyl)piperidine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[(3-fluorophenyl)-oxomethyl]-6-(3-methylphenyl)-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(3-fluorobenzoyl)-6-(m-tolyl)nipecotoyl]nipecotic acid ethyl ester Formula: C28H33FN2O4 MolecularWeight: 480.571023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CCC(N(C2)C(=O)C3=CC(=CC=C3)F)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CCC(N(C2)C(=O)C3=CC(=CC=C3)F)C4=CC(=CC=C4)C

InChI

InChI=1S/C28H33FN2O4/c1-3-35-28(34)23-10-6-14-30(17-23)26(32)22-12-13-25(20-8-4-7-19(2)15-20)31(18-22)27(33)21-9-5-11-24(29)16-21/h4-5,7-9,11,15-16,22-23,25H,3,6,10,12-14,17-18H2,1-2H3