ethyl (3S)-3-[(E)-3-phenylprop-2-enyl]-1-(2-pyridin-3-ylethanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(E)-3-phenylprop-2-enyl]-1-(2-pyridin-3-ylethanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-[2-(3-pyridyl)acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[1-oxo-2-(3-pyridinyl)ethyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(E)-3-phenylprop-2-enyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-[2-(3-pyridyl)acetyl]nipecotic acid ethyl ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CC2=CN=CC=C2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CC2=CN=CC=C2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O3/c1-2-29-23(28)24(13-6-11-20-9-4-3-5-10-20)14-8-16-26(19-24)22(27)17-21-12-7-15-25-18-21/h3-7,9-12,15,18H,2,8,13-14,16-17,19H2,1H3/b11-6+/t24-/m1/s1