6-(2-methylpropyl)-2-(1-naphthalen-1-ylethylimino)-5-oxidanylidene-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid

Systemtic Name: 6-(2-methylpropyl)-2-(1-naphthalen-1-ylethylimino)-5-oxidanylidene-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid Openeye Name: 6-isobutyl-2-[1-(1-naphthyl)ethylimino]-5-oxo-3-(3-phenylpropyl)hexahydropyrimidine-1-carboxylic acid CAS Name: 6-(2-methylpropyl)-2-[1-(1-naphthalenyl)ethylimino]-5-oxo-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid IUPAC Name: 6-(2-methylpropyl)-2-(1-naphthalen-1-ylethylimino)-5-oxo-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid Traditional Name: 6-isobutyl-5-keto-2-[1-(1-naphthyl)ethylimino]-3-(3-phenylpropyl)hexahydropyrimidine-1-carboxylic acid Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)CN(C(=NC(C)C2=CC=CC3=CC=CC=C32)N1C(=O)O)CCCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1C(=O)CN(C(=NC(C)C2=CC=CC3=CC=CC=C32)N1C(=O)O)CCCC4=CC=CC=C4

InChI

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