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

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C17H24N2O7 MolecularWeight: 368.38166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O7/c1-6-10(2)18-17(22)19-13(20)9-26-16(21)11-7-8-12(23-3)15(25-5)14(11)24-4/h7-8,10H,6,9H2,1-5H3,(H2,18,19,20,22)/t10-/m0/s1