4-[3-(3,5-ditert-butylphenyl)-2-oxidanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 4-[3-(3,5-ditert-butylphenyl)-2-oxidanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 4-[3-(3,5-ditert-butylphenyl)-2-oxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 4-[3-(3,5-ditert-butylphenyl)-2-oxo-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 4-[3-(3,5-ditert-butylphenyl)-2-oxo-1,3-diazinan-1-yl]benzoic acid Traditional Name: 4-[3-(3,5-ditert-butylphenyl)-2-keto-hexahydropyrimidin-1-yl]benzoic acid Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)N2CCCN(C2=O)C3=CC=C(C=C3)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)N2CCCN(C2=O)C3=CC=C(C=C3)C(=O)O)C(C)(C)C

InChI

InChI=1S/C25H32N2O3/c1-24(2,3)18-14-19(25(4,5)6)16-21(15-18)27-13-7-12-26(23(27)30)20-10-8-17(9-11-20)22(28)29/h8-11,14-16H,7,12-13H2,1-6H3,(H,28,29)