ethyl (3S)-1-(2-methoxypyridin-3-yl)carbonyl-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2-methoxypyridin-3-yl)carbonyl-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(2-methoxy-3-pyridinyl)-oxomethyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-methoxypyridine-3-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-(2-methoxynicotinoyl)nipecotic acid ethyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(N=CC=C2)OC)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=C(N=CC=C2)OC)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4/c1-3-30-23(28)24(14-7-12-19-10-5-4-6-11-19)15-9-17-26(18-24)22(27)20-13-8-16-25-21(20)29-2/h4-8,10-13,16H,3,9,14-15,17-18H2,1-2H3/b12-7+/t24-/m1/s1