[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C16H22N2O6 MolecularWeight: 338.35568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H22N2O6/c1-5-10(2)17-16(21)18-14(19)9-24-15(20)11-6-7-12(22-3)13(8-11)23-4/h6-8,10H,5,9H2,1-4H3,(H2,17,18,19,21)/t10-/m0/s1