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

Systemtic Name: 3-methylbutyl 4-[[4-methyl-5-(naphthalen-1-ylmethyl)-6-oxidanylidene-1-(phenylmethyl)-1,3-diazinan-2-yl]amino]benzoate Openeye Name: isopentyl 4-[[1-benzyl-4-methyl-5-(1-naphthylmethyl)-6-oxo-hexahydropyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-methyl-5-(1-naphthalenylmethyl)-6-oxo-1-(phenylmethyl)-1,3-diazinan-2-yl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[1-benzyl-4-methyl-5-(naphthalen-1-ylmethyl)-6-oxo-1,3-diazinan-2-yl]amino]benzoate Traditional Name: 4-[[1-benzyl-6-keto-4-methyl-5-(1-naphthylmethyl)hexahydropyrimidin-2-yl]amino]benzoic acid isoamyl ester Formula: C35H39N3O3 MolecularWeight: 549.70246

Click to see the large picture

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=CC5=CC=CC=C54

Isomeric SMILES

CC1C(C(=O)N(C(N1)NC2=CC=C(C=C2)C(=O)OCCC(C)C)CC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C35H39N3O3/c1-24(2)20-21-41-34(40)28-16-18-30(19-17-28)37-35-36-25(3)32(33(39)38(35)23-26-10-5-4-6-11-26)22-29-14-9-13-27-12-7-8-15-31(27)29/h4-19,24-25,32,35-37H,20-23H2,1-3H3