ethyl 4-(2-chlorophenyl)-2,6-dimethyl-5-(4-methylpentanoyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2,6-dimethyl-5-(4-methylpentanoyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2,6-dimethyl-5-(4-methylpentanoyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2,6-dimethyl-5-(4-methyl-1-oxopentyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2,6-dimethyl-5-(4-methylpentanoyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2,6-dimethyl-5-(4-methylpentanoyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)CCC(C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)CCC(C)C)C)C

InChI

InChI=1S/C22H28ClNO3/c1-6-27-22(26)20-15(5)24-14(4)19(18(25)12-11-13(2)3)21(20)16-9-7-8-10-17(16)23/h7-10,13,21,24H,6,11-12H2,1-5H3