4-(aminocarbonylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]-6-phenyl-2-propyl-2H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(aminocarbonylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]-6-phenyl-2-propyl-2H-pyridine-3,5-dicarboxylic acid Openeye Name: 1-[4-(o-tolyl)piperazin-1-yl]-6-phenyl-2-propyl-4-ureido-2H-pyridine-3,5-dicarboxylic acid CAS Name: 4-(carbamoylamino)-1-[4-(2-methylphenyl)-1-piperazinyl]-6-phenyl-2-propyl-2H-pyridine-3,5-dicarboxylic acid IUPAC Name: 4-(carbamoylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]-6-phenyl-2-propyl-2H-pyridine-3,5-dicarboxylic acid Traditional Name: 1-[4-(o-tolyl)piperazino]-6-phenyl-2-propyl-4-ureido-2H-pyridine-3,5-dicarboxylic acid Formula: C28H33N5O5 MolecularWeight: 519.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=C(C(=C(N1N2CCN(CC2)C3=CC=CC=C3C)C4=CC=CC=C4)C(=O)O)NC(=O)N)C(=O)O

Isomeric SMILES

CCCC1C(=C(C(=C(N1N2CCN(CC2)C3=CC=CC=C3C)C4=CC=CC=C4)C(=O)O)NC(=O)N)C(=O)O

InChI

InChI=1S/C28H33N5O5/c1-3-9-21-22(26(34)35)24(30-28(29)38)23(27(36)37)25(19-11-5-4-6-12-19)33(21)32-16-14-31(15-17-32)20-13-8-7-10-18(20)2/h4-8,10-13,21H,3,9,14-17H2,1-2H3,(H,34,35)(H,36,37)(H3,29,30,38)