4-(3-chloranyl-2-cyano-phenyl)-5-(1-cyclopropyl-3-methoxy-propan-2-yl)oxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(3-chloranyl-2-cyano-phenyl)-5-(1-cyclopropyl-3-methoxy-propan-2-yl)oxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(3-chloro-2-cyano-phenyl)-5-[1-(cyclopropylmethyl)-2-methoxy-ethoxy]carbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(3-chloro-2-cyanophenyl)-5-[(1-cyclopropyl-3-methoxypropan-2-yl)oxy-oxomethyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-chloro-2-cyanophenyl)-5-(1-cyclopropyl-3-methoxypropan-2-yl)oxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(3-chloro-2-cyano-phenyl)-5-[1-(cyclopropylmethyl)-2-methoxy-ethoxy]carbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C23H25ClN2O5 MolecularWeight: 444.908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(CC2CC2)COC)C3=C(C(=CC=C3)Cl)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(CC2CC2)COC)C3=C(C(=CC=C3)Cl)C#N)C(=O)O

InChI

InChI=1S/C23H25ClN2O5/c1-12-19(22(27)28)21(16-5-4-6-18(24)17(16)10-25)20(13(2)26-12)23(29)31-15(11-30-3)9-14-7-8-14/h4-6,14-15,21,26H,7-9,11H2,1-3H3,(H,27,28)