ethyl (3S)-3-[(E)-3-phenylprop-2-enyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(E)-3-phenylprop-2-enyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-[1-(2-pyridylmethyl)-4-piperidyl]piperidine-3-carboxylate CAS Name: (3S)-3-[(E)-3-phenylprop-2-enyl]-1-[1-(2-pyridinylmethyl)-4-piperidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(E)-3-phenylprop-2-enyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-[1-(2-pyridylmethyl)-4-piperidyl]nipecotic acid ethyl ester Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C2CCN(CC2)CC3=CC=CC=N3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C2CCN(CC2)CC3=CC=CC=N3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H37N3O2/c1-2-33-27(32)28(16-8-12-24-10-4-3-5-11-24)17-9-19-31(23-28)26-14-20-30(21-15-26)22-25-13-6-7-18-29-25/h3-8,10-13,18,26H,2,9,14-17,19-23H2,1H3/b12-8+/t28-/m1/s1