4-(2-chlorophenyl)-5-methoxycarbonyl-2-methyl-6-prop-1-ynyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(2-chlorophenyl)-5-methoxycarbonyl-2-methyl-6-prop-1-ynyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2-chlorophenyl)-5-methoxycarbonyl-2-methyl-6-prop-1-ynyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(2-chlorophenyl)-5-methoxycarbonyl-2-methyl-6-prop-1-ynyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(2-chlorophenyl)-5-methoxycarbonyl-2-methyl-6-prop-1-ynyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbomethoxy-4-(2-chlorophenyl)-2-methyl-6-prop-1-ynyl-1,4-dihydropyridine-3-carboxylic acid Formula: C18H16ClNO4 MolecularWeight: 345.77694

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2Cl)C(=O)OC

Isomeric SMILES

CC#CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2Cl)C(=O)OC

InChI

InChI=1S/C18H16ClNO4/c1-4-7-13-16(18(23)24-3)15(11-8-5-6-9-12(11)19)14(17(21)22)10(2)20-13/h5-6,8-9,15,20H,1-3H3,(H,21,22)