[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H22N2O4 MolecularWeight: 306.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)NC(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)NC(=O)NCCC(C)C

InChI

InChI=1S/C16H22N2O4/c1-11(2)7-8-17-16(21)18-14(19)10-22-15(20)13-6-4-5-12(3)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H2,17,18,19,21)