2-[[1-[(4-tert-butylphenyl)methyl]-6-oxidanyl-4-oxidanylidene-2-(2-phenylphenyl)pyrimidin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-[(4-tert-butylphenyl)methyl]-6-oxidanyl-4-oxidanylidene-2-(2-phenylphenyl)pyrimidin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-4-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-4-oxo-2-(2-phenylphenyl)-5-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-4-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(4-tert-butylbenzyl)-6-hydroxy-4-keto-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid Formula: C30H29N3O5 MolecularWeight: 511.56836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=C(C(=O)N=C2C3=CC=CC=C3C4=CC=CC=C4)C(=O)NCC(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=C(C(=O)N=C2C3=CC=CC=C3C4=CC=CC=C4)C(=O)NCC(=O)O)O

InChI

InChI=1S/C30H29N3O5/c1-30(2,3)21-15-13-19(14-16-21)18-33-26(23-12-8-7-11-22(23)20-9-5-4-6-10-20)32-28(37)25(29(33)38)27(36)31-17-24(34)35/h4-16,38H,17-18H2,1-3H3,(H,31,36)(H,34,35)