2,6-dimethyl-4-[3-[1-[4-(2-phenoxyphenyl)piperazin-1-yl]propylcarbamoylamino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-[3-[1-[4-(2-phenoxyphenyl)piperazin-1-yl]propylcarbamoylamino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-[3-[1-[4-(2-phenoxyphenyl)piperazin-1-yl]propylcarbamoylamino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-[3-[[oxo-[1-[4-(2-phenoxyphenyl)-1-piperazinyl]propylamino]methyl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-[3-[1-[4-(2-phenoxyphenyl)piperazin-1-yl]propylcarbamoylamino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-[3-[1-[4-(2-phenoxyphenyl)piperazino]propylcarbamoylamino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C35H39N5O6 MolecularWeight: 625.71406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)NC1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)O)C)C)C(=O)O)N3CCN(CC3)C4=CC=CC=C4OC5=CC=CC=C5

Isomeric SMILES

CCC(NC(=O)NC1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)O)C)C)C(=O)O)N3CCN(CC3)C4=CC=CC=C4OC5=CC=CC=C5

InChI

InChI=1S/C35H39N5O6/c1-4-29(40-19-17-39(18-20-40)27-15-8-9-16-28(27)46-26-13-6-5-7-14-26)38-35(45)37-25-12-10-11-24(21-25)32-30(33(41)42)22(2)36-23(3)31(32)34(43)44/h5-16,21,29,32,36H,4,17-20H2,1-3H3,(H,41,42)(H,43,44)(H2,37,38,45)