ethyl (3S)-1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H26N2O5/c1-3-26-19(24)16-5-4-10-21(12-16)13-17(22)20-11-14-6-8-15(9-7-14)18(23)25-2/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,22)/t16-/m0/s1