methyl 2-[4-[[6-butyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[6-butyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(2-benzyl-6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[[6-butyl-4-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-benzyl-6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-benzyl-6-butyl-4-keto-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid methyl ester Formula: C30H30N2O3 MolecularWeight: 466.5708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C30H30N2O3/c1-3-4-14-27-26(29(33)32-28(31-27)20-21-10-6-5-7-11-21)19-22-15-17-23(18-16-22)24-12-8-9-13-25(24)30(34)35-2/h5-13,15-18H,3-4,14,19-20H2,1-2H3,(H,31,32,33)