4-(3-chloranyl-2-cyano-phenyl)-2,6-dimethyl-5-[(1-methylcyclopropyl)methoxycarbonyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(3-chloranyl-2-cyano-phenyl)-2,6-dimethyl-5-[(1-methylcyclopropyl)methoxycarbonyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(3-chloro-2-cyano-phenyl)-2,6-dimethyl-5-[(1-methylcyclopropyl)methoxycarbonyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(3-chloro-2-cyanophenyl)-2,6-dimethyl-5-[(1-methylcyclopropyl)methoxy-oxomethyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-chloro-2-cyanophenyl)-2,6-dimethyl-5-[(1-methylcyclopropyl)methoxycarbonyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(3-chloro-2-cyano-phenyl)-2,6-dimethyl-5-[(1-methylcyclopropyl)methoxycarbonyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC2(CC2)C)C3=C(C(=CC=C3)Cl)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC2(CC2)C)C3=C(C(=CC=C3)Cl)C#N)C(=O)O

InChI

InChI=1S/C21H21ClN2O4/c1-11-16(19(25)26)18(13-5-4-6-15(22)14(13)9-23)17(12(2)24-11)20(27)28-10-21(3)7-8-21/h4-6,18,24H,7-8,10H2,1-3H3,(H,25,26)