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

Systemtic Name: 3-methylbutyl 4-[2-[4-methyl-6-oxidanylidene-1,5-bis(phenylmethyl)-1,3-diazinan-2-yl]hydrazinyl]benzoate Openeye Name: isopentyl 4-[2-(1,5-dibenzyl-4-methyl-6-oxo-hexahydropyrimidin-2-yl)hydrazino]benzoate CAS Name: 4-[[4-methyl-6-oxo-1,5-bis(phenylmethyl)-1,3-diazinan-2-yl]hydrazo]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[2-(1,5-dibenzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)hydrazinyl]benzoate Traditional Name: 4-[N'-(1,5-dibenzyl-6-keto-4-methyl-hexahydropyrimidin-2-yl)hydrazino]benzoic acid isoamyl ester Formula: C31H38N4O3 MolecularWeight: 514.65842

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(C(N1)NNC2=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)NNC2=CC=C(C=C2)C(=O)OCCC(C)C)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C31H38N4O3/c1-22(2)18-19-38-30(37)26-14-16-27(17-15-26)33-34-31-32-23(3)28(20-24-10-6-4-7-11-24)29(36)35(31)21-25-12-8-5-9-13-25/h4-17,22-23,28,31-34H,18-21H2,1-3H3