ditert-butyl (4S)-2,6-dimethyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl (4S)-2,6-dimethyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl (4S)-2,6-dimethyl-4-[(E)-styryl]-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2,6-dimethyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (4S)-2,6-dimethyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2,6-dimethyl-4-[(E)-styryl]-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C25H33NO4 MolecularWeight: 411.53382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC(C)(C)C)C=CC2=CC=CC=C2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OC(C)(C)C)/C=C/C2=CC=CC=C2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H33NO4/c1-16-20(22(27)29-24(3,4)5)19(15-14-18-12-10-9-11-13-18)21(17(2)26-16)23(28)30-25(6,7)8/h9-15,19-20H,1-8H3/b15-14+/t19-,20?/m0/s1