dimethyl (4S)-4-(4-hexoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl (4S)-4-(4-hexoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl (4S)-4-(4-hexoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-(4-hexoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S)-4-(4-hexoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-(4-hexoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2C(C(=NC(=C2C(=O)OC)C)C)C(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)[C@@H]2C(C(=NC(=C2C(=O)OC)C)C)C(=O)OC

InChI

InChI=1S/C23H31NO5/c1-6-7-8-9-14-29-18-12-10-17(11-13-18)21-19(22(25)27-4)15(2)24-16(3)20(21)23(26)28-5/h10-13,19,21H,6-9,14H2,1-5H3/t19?,21-/m1/s1