2-[4-[[2-butyl-5-(2-methylphenyl)-6-oxidanylidene-pyrimidin-1-yl]methyl]phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[[2-butyl-5-(2-methylphenyl)-6-oxidanylidene-pyrimidin-1-yl]methyl]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[[2-butyl-5-(o-tolyl)-6-oxo-pyrimidin-1-yl]methyl]phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[[2-butyl-5-(2-methylphenyl)-6-oxo-1-pyrimidinyl]methyl]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[[2-butyl-5-(2-methylphenyl)-6-oxopyrimidin-1-yl]methyl]phenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[[2-butyl-6-keto-5-(o-tolyl)pyrimidin-1-yl]methyl]phenoxy]-2-phenyl-acetic acid Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(C(=O)N1CC2=CC=C(C=C2)OC(C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4C

Isomeric SMILES

CCCCC1=NC=C(C(=O)N1CC2=CC=C(C=C2)OC(C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4C

InChI

InChI=1S/C30H30N2O4/c1-3-4-14-27-31-19-26(25-13-9-8-10-21(25)2)29(33)32(27)20-22-15-17-24(18-16-22)36-28(30(34)35)23-11-6-5-7-12-23/h5-13,15-19,28H,3-4,14,20H2,1-2H3,(H,34,35)