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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(C(=NC(=C2C(=O)OCC)C)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@H]2[C@@H](C(=NC(=C2C(=O)OCC)C)C)C(=O)OCC

InChI

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