3-[2-(cyclohexen-1-yl)ethyl]-6-(2-methylpropyl)-5-oxidanylidene-2-pentylimino-1,3-diazinane-1-carboxylic acid

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-6-(2-methylpropyl)-5-oxidanylidene-2-pentylimino-1,3-diazinane-1-carboxylic acid Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-6-isobutyl-5-oxo-2-pentylimino-hexahydropyrimidine-1-carboxylic acid CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-6-(2-methylpropyl)-5-oxo-2-pentylimino-1,3-diazinane-1-carboxylic acid IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-6-(2-methylpropyl)-5-oxo-2-pentylimino-1,3-diazinane-1-carboxylic acid Traditional Name: 2-amylimino-3-[2-(cyclohexen-1-yl)ethyl]-6-isobutyl-5-keto-hexahydropyrimidine-1-carboxylic acid Formula: C22H37N3O3 MolecularWeight: 391.54748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C1N(CC(=O)C(N1C(=O)O)CC(C)C)CCC2=CCCCC2

Isomeric SMILES

CCCCCN=C1N(CC(=O)C(N1C(=O)O)CC(C)C)CCC2=CCCCC2

InChI

InChI=1S/C22H37N3O3/c1-4-5-9-13-23-21-24(14-12-18-10-7-6-8-11-18)16-20(26)19(15-17(2)3)25(21)22(27)28/h10,17,19H,4-9,11-16H2,1-3H3,(H,27,28)