(4-ethoxyphenyl) (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (4-ethoxyphenyl) (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (4-ethoxyphenyl) (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-chlorobenzoyl)nipecotic acid p-phenetyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)OC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO4/c1-2-26-18-9-11-19(12-10-18)27-21(25)16-4-3-13-23(14-16)20(24)15-5-7-17(22)8-6-15/h5-12,16H,2-4,13-14H2,1H3/t16-/m0/s1