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

Systemtic Name: diethyl (4S)-4-(4-ethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl (4S)-4-(4-ethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-(4-ethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S)-4-(4-ethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2,6-dimethyl-4-p-phenetyl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=NC(=C2C(=O)OCC)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2C(C(=NC(=C2C(=O)OCC)C)C)C(=O)OCC

InChI

InChI=1S/C21H27NO5/c1-6-25-16-11-9-15(10-12-16)19-17(20(23)26-7-2)13(4)22-14(5)18(19)21(24)27-8-3/h9-12,17,19H,6-8H2,1-5H3/t17?,19-/m1/s1