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

Systemtic Name: 3-methylbutyl 4-[[4-methyl-6-oxidanylidene-1,5-bis(phenylmethyl)-1,3-diazinan-2-yl]amino]benzoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H37N3O3/c1-22(2)18-19-37-30(36)26-14-16-27(17-15-26)33-31-32-23(3)28(20-24-10-6-4-7-11-24)29(35)34(31)21-25-12-8-5-9-13-25/h4-17,22-23,28,31-33H,18-21H2,1-3H3