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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC2NC(C(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC2NC(C(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C31H37N3O3/c1-3-4-11-20-37-30(36)26-16-18-27(19-17-26)33-31-32-23(2)28(21-24-12-7-5-8-13-24)29(35)34(31)22-25-14-9-6-10-15-25/h5-10,12-19,23,28,31-33H,3-4,11,20-22H2,1-2H3