2-butyl-5-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-6-oxidanylidene-1,3-diazinane-5-carboxylic acid

Systemtic Name: 2-butyl-5-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-6-oxidanylidene-1,3-diazinane-5-carboxylic acid Openeye Name: 1-[4-(2-tert-butoxycarbonylphenyl)phenyl]-2-butyl-5-methyl-6-oxo-hexahydropyrimidine-5-carboxylic acid CAS Name: 2-butyl-5-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]phenyl]-6-oxo-1,3-diazinane-5-carboxylic acid IUPAC Name: 2-butyl-5-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-6-oxo-1,3-diazinane-5-carboxylic acid Traditional Name: 1-[4-(2-tert-butoxycarbonylphenyl)phenyl]-2-butyl-6-keto-5-methyl-hexahydropyrimidine-5-carboxylic acid Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NCC(C(=O)N1C2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)(C)C(=O)O

Isomeric SMILES

CCCCC1NCC(C(=O)N1C2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)(C)C(=O)O

InChI

InChI=1S/C27H34N2O5/c1-6-7-12-22-28-17-27(5,25(32)33)24(31)29(22)19-15-13-18(14-16-19)20-10-8-9-11-21(20)23(30)34-26(2,3)4/h8-11,13-16,22,28H,6-7,12,17H2,1-5H3,(H,32,33)