[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2R,6S)-2-[(2R)-2-acetyloxypentyl]-6-prop-2-enyl-2,6-dihydropyridine-1-carboxylate

Systemtic Name: [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2R,6S)-2-[(2R)-2-acetyloxypentyl]-6-prop-2-enyl-2,6-dihydropyridine-1-carboxylate Openeye Name: [(1S,2R)-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2R,6S)-2-[(2R)-2-acetoxypentyl]-6-allyl-2,6-dihydropyridine-1-carboxylate CAS Name: (2R,6S)-2-[(2R)-2-acetyloxypentyl]-6-prop-2-enyl-2,6-dihydropyridine-1-carboxylic acid [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2R,6S)-2-[(2R)-2-acetyloxypentyl]-6-prop-2-enyl-2,6-dihydropyridine-1-carboxylate Traditional Name: (2R,6S)-2-[(2R)-2-acetoxypentyl]-6-allyl-2,6-dihydropyridine-1-carboxylic acid [(1S,2R)-2-cumylcyclohexyl] ester Formula: C31H44NO4 MolecularWeight: 494.68536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1[CH][CH][CH]C(N1C(=O)OC2CCCCC2C(C)(C)C3=CC=CC=C3)CC=C)OC(=O)C

Isomeric SMILES

CCC[C@H](C[C@H]1[CH][CH][CH][C@H](N1C(=O)O[C@H]2CCCC[C@@H]2C(C)(C)C3=CC=CC=C3)CC=C)OC(=O)C

InChI

InChI=1S/C31H44NO4/c1-6-14-25-18-13-19-26(22-27(15-7-2)35-23(3)33)32(25)30(34)36-29-21-12-11-20-28(29)31(4,5)24-16-9-8-10-17-24/h6,8-10,13,16-19,25-29H,1,7,11-12,14-15,20-22H2,2-5H3/t25-,26-,27-,28+,29+/m1/s1