4-[2-chloranyl-5-(2-diethylaminoethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-[2-chloranyl-5-(2-diethylaminoethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-[2-chloro-5-(2-diethylaminoethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-[2-chloro-5-(2-diethylaminoethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-[2-chloro-5-(2-diethylaminoethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-[2-chloro-5-(2-diethylaminoethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=CC(=C(C=C1)Cl)C2C(=C(NC(=C2C(=O)O)C)C)C(=O)O

Isomeric SMILES

CCN(CC)CCNC1=CC(=C(C=C1)Cl)C2C(=C(NC(=C2C(=O)O)C)C)C(=O)O

InChI

InChI=1S/C21H28ClN3O4/c1-5-25(6-2)10-9-23-14-7-8-16(22)15(11-14)19-17(20(26)27)12(3)24-13(4)18(19)21(28)29/h7-8,11,19,23-24H,5-6,9-10H2,1-4H3,(H,26,27)(H,28,29)