(phenylmethyl) (2E,4S,5R)-4-methyl-5-phenyl-3-piperidin-1-yl-hepta-2,6-dienoate

Systemtic Name: (phenylmethyl) (2E,4S,5R)-4-methyl-5-phenyl-3-piperidin-1-yl-hepta-2,6-dienoate Openeye Name: benzyl (2E,4S,5R)-4-methyl-5-phenyl-3-(1-piperidyl)hepta-2,6-dienoate CAS Name: (2E,4S,5R)-4-methyl-5-phenyl-3-(1-piperidinyl)hepta-2,6-dienoic acid (phenylmethyl) ester IUPAC Name: benzyl (2E,4S,5R)-4-methyl-5-phenyl-3-piperidin-1-ylhepta-2,6-dienoate Traditional Name: (2E,4S,5R)-4-methyl-5-phenyl-3-piperidino-hepta-2,6-dienoic acid benzyl ester Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C=C)C1=CC=CC=C1)C(=CC(=O)OCC2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

C[C@@H]([C@@H](C=C)C1=CC=CC=C1)/C(=C\C(=O)OCC2=CC=CC=C2)/N3CCCCC3

InChI

InChI=1S/C26H31NO2/c1-3-24(23-15-9-5-10-16-23)21(2)25(27-17-11-6-12-18-27)19-26(28)29-20-22-13-7-4-8-14-22/h3-5,7-10,13-16,19,21,24H,1,6,11-12,17-18,20H2,2H3/b25-19+/t21-,24+/m0/s1