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

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

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