ethyl (3S)-1-(2-acetamidoethanoyl)-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2-acetamidoethanoyl)-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(2-acetamidoacetyl)-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-(2-acetamido-1-oxoethyl)-3-[(3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-acetamidoacetyl)-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(2-acetamidoacetyl)-3-m-anisyl-nipecotic acid ethyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CNC(=O)C)CC2=CC(=CC=C2)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CNC(=O)C)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C20H28N2O5/c1-4-27-19(25)20(12-16-7-5-8-17(11-16)26-3)9-6-10-22(14-20)18(24)13-21-15(2)23/h5,7-8,11H,4,6,9-10,12-14H2,1-3H3,(H,21,23)/t20-/m0/s1