2-[4-[[6-butyl-2-(cyclohexylcarbamoylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[6-butyl-2-(cyclohexylcarbamoylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[6-butyl-2-(cyclohexylcarbamoylamino)-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-butyl-2-[[(cyclohexylamino)-oxomethyl]amino]-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[6-butyl-2-(cyclohexylcarbamoylamino)-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[6-butyl-2-(cyclohexylcarbamoylamino)-4-keto-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid Formula: C29H34N4O4 MolecularWeight: 502.60466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)NC(=O)NC2CCCCC2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)NC(=O)NC2CCCCC2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C29H34N4O4/c1-2-3-13-25-24(26(34)32-28(31-25)33-29(37)30-21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)27(35)36/h7-8,11-12,14-17,21H,2-6,9-10,13,18H2,1H3,(H,35,36)(H3,30,31,32,33,34,37)