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

Systemtic Name: 4-(aminocarbonylamino)-6-phenyl-1-[4-(2-prop-2-enoxyphenyl)piperazin-1-yl]-2-propyl-2H-pyridine-3,5-dicarboxylic acid Openeye Name: 1-[4-(2-allyloxyphenyl)piperazin-1-yl]-6-phenyl-2-propyl-4-ureido-2H-pyridine-3,5-dicarboxylic acid CAS Name: 4-(carbamoylamino)-6-phenyl-1-[4-(2-prop-2-enoxyphenyl)-1-piperazinyl]-2-propyl-2H-pyridine-3,5-dicarboxylic acid IUPAC Name: 4-(carbamoylamino)-6-phenyl-1-[4-(2-prop-2-enoxyphenyl)piperazin-1-yl]-2-propyl-2H-pyridine-3,5-dicarboxylic acid Traditional Name: 1-[4-(2-allyloxyphenyl)piperazino]-6-phenyl-2-propyl-4-ureido-2H-pyridine-3,5-dicarboxylic acid Formula: C30H35N5O6 MolecularWeight: 561.6288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=C(C(=C(N1N2CCN(CC2)C3=CC=CC=C3OCC=C)C4=CC=CC=C4)C(=O)O)NC(=O)N)C(=O)O

Isomeric SMILES

CCCC1C(=C(C(=C(N1N2CCN(CC2)C3=CC=CC=C3OCC=C)C4=CC=CC=C4)C(=O)O)NC(=O)N)C(=O)O

InChI

InChI=1S/C30H35N5O6/c1-3-10-22-24(28(36)37)26(32-30(31)40)25(29(38)39)27(20-11-6-5-7-12-20)35(22)34-17-15-33(16-18-34)21-13-8-9-14-23(21)41-19-4-2/h4-9,11-14,22H,2-3,10,15-19H2,1H3,(H,36,37)(H,38,39)(H3,31,32,40)