(phenylmethyl) (2S,6S)-3-methyl-6-pentyl-2-(3-phenylmethoxypropyl)-2,6-dihydropyridine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,6S)-3-methyl-6-pentyl-2-(3-phenylmethoxypropyl)-2,6-dihydropyridine-1-carboxylate Openeye Name: benzyl (2S,6S)-2-(3-benzyloxypropyl)-3-methyl-6-pentyl-2,6-dihydropyridine-1-carboxylate CAS Name: (2S,6S)-3-methyl-6-pentyl-2-(3-phenylmethoxypropyl)-2,6-dihydropyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,6S)-3-methyl-6-pentyl-2-(3-phenylmethoxypropyl)-2,6-dihydropyridine-1-carboxylate Traditional Name: (2S,6S)-6-amyl-2-(3-benzoxypropyl)-3-methyl-2,6-dihydropyridine-1-carboxylic acid benzyl ester Formula: C29H38NO3 MolecularWeight: 448.61692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1[CH][CH][C](C(N1C(=O)OCC2=CC=CC=C2)CCCOCC3=CC=CC=C3)C

Isomeric SMILES

CCCCC[C@@H]1[CH][CH][C]([C@@H](N1C(=O)OCC2=CC=CC=C2)CCCOCC3=CC=CC=C3)C

InChI

InChI=1S/C29H38NO3/c1-3-4-7-17-27-20-19-24(2)28(18-12-21-32-22-25-13-8-5-9-14-25)30(27)29(31)33-23-26-15-10-6-11-16-26/h5-6,8-11,13-16,19-20,27-28H,3-4,7,12,17-18,21-23H2,1-2H3/t27-,28+/m1/s1