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

Systemtic Name: 4-(aminocarbonylamino)-6-phenyl-2-propyl-1-[2-(3-prop-2-ynoxyphenyl)piperidin-1-yl]-2H-pyridine-3,5-dicarboxylic acid Openeye Name: 6-phenyl-2-propyl-1-[2-(3-prop-2-ynoxyphenyl)-1-piperidyl]-4-ureido-2H-pyridine-3,5-dicarboxylic acid CAS Name: 4-(carbamoylamino)-6-phenyl-2-propyl-1-[2-(3-prop-2-ynoxyphenyl)-1-piperidinyl]-2H-pyridine-3,5-dicarboxylic acid IUPAC Name: 4-(carbamoylamino)-6-phenyl-2-propyl-1-[2-(3-prop-2-ynoxyphenyl)piperidin-1-yl]-2H-pyridine-3,5-dicarboxylic acid Traditional Name: 6-phenyl-1-[2-(3-propargyloxyphenyl)piperidino]-2-propyl-4-ureido-2H-pyridine-3,5-dicarboxylic acid Formula: C31H34N4O6 MolecularWeight: 558.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=C(C(=C(N1N2CCCCC2C3=CC(=CC=C3)OCC#C)C4=CC=CC=C4)C(=O)O)NC(=O)N)C(=O)O

Isomeric SMILES

CCCC1C(=C(C(=C(N1N2CCCCC2C3=CC(=CC=C3)OCC#C)C4=CC=CC=C4)C(=O)O)NC(=O)N)C(=O)O

InChI

InChI=1S/C31H34N4O6/c1-3-11-24-25(29(36)37)27(33-31(32)40)26(30(38)39)28(20-12-6-5-7-13-20)35(24)34-17-9-8-16-23(34)21-14-10-15-22(19-21)41-18-4-2/h2,5-7,10,12-15,19,23-24H,3,8-9,11,16-18H2,1H3,(H,36,37)(H,38,39)(H3,32,33,40)