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

Systemtic Name: 2-methylpropyl 4-[[4-methyl-6-oxidanylidene-1,5-bis(phenylmethyl)-1,3-diazinan-2-yl]amino]benzoate Openeye Name: isobutyl 4-[(1,5-dibenzyl-4-methyl-6-oxo-hexahydropyrimidin-2-yl)amino]benzoate CAS Name: 4-[[4-methyl-6-oxo-1,5-bis(phenylmethyl)-1,3-diazinan-2-yl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(1,5-dibenzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)amino]benzoate Traditional Name: 4-[(1,5-dibenzyl-6-keto-4-methyl-hexahydropyrimidin-2-yl)amino]benzoic acid isobutyl ester Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O3/c1-21(2)20-36-29(35)25-14-16-26(17-15-25)32-30-31-22(3)27(18-23-10-6-4-7-11-23)28(34)33(30)19-24-12-8-5-9-13-24/h4-17,21-22,27,30-32H,18-20H2,1-3H3