4-[[4-methyl-6-oxidanylidene-1,5-bis(phenylmethyl)-1,3-diazinan-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-methyl-6-oxidanylidene-1,5-bis(phenylmethyl)-1,3-diazinan-2-yl]amino]benzoic acid Openeye Name: 4-[(1,5-dibenzyl-4-methyl-6-oxo-hexahydropyrimidin-2-yl)amino]benzoic acid CAS Name: 4-[[4-methyl-6-oxo-1,5-bis(phenylmethyl)-1,3-diazinan-2-yl]amino]benzoic acid IUPAC Name: 4-[(1,5-dibenzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)amino]benzoic acid Traditional Name: 4-[(1,5-dibenzyl-6-keto-4-methyl-hexahydropyrimidin-2-yl)amino]benzoic acid Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(C(N1)NC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1C(C(=O)N(C(N1)NC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3/c1-18-23(16-19-8-4-2-5-9-19)24(30)29(17-20-10-6-3-7-11-20)26(27-18)28-22-14-12-21(13-15-22)25(31)32/h2-15,18,23,26-28H,16-17H2,1H3,(H,31,32)