ethyl 1-[(3S)-3-(4-chlorophenyl)-1-propan-2-yl-piperidin-4-yl]carbonyl-4-cyclohexyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3S)-3-(4-chlorophenyl)-1-propan-2-yl-piperidin-4-yl]carbonyl-4-cyclohexyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[(3S)-3-(4-chlorophenyl)-1-isopropyl-piperidine-4-carbonyl]-4-cyclohexyl-piperidine-4-carboxylate CAS Name: 1-[[(3S)-3-(4-chlorophenyl)-1-propan-2-yl-4-piperidinyl]-oxomethyl]-4-cyclohexyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3S)-3-(4-chlorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxylate Traditional Name: 1-[(3S)-3-(4-chlorophenyl)-1-isopropyl-isonipecotoyl]-4-cyclohexyl-isonipecotic acid ethyl ester Formula: C29H43ClN2O3 MolecularWeight: 503.11632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2CCN(CC2C3=CC=C(C=C3)Cl)C(C)C)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2CCN(C[C@@H]2C3=CC=C(C=C3)Cl)C(C)C)C4CCCCC4

InChI

InChI=1S/C29H43ClN2O3/c1-4-35-28(34)29(23-8-6-5-7-9-23)15-18-31(19-16-29)27(33)25-14-17-32(21(2)3)20-26(25)22-10-12-24(30)13-11-22/h10-13,21,23,25-26H,4-9,14-20H2,1-3H3/t25?,26-/m1/s1