[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O7/c1-28-17-11-16(12-18(29-2)21(17)30-3)9-10-20(26)31-14-19(25)24-22(27)23-13-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13-14H2,1-3H3,(H2,23,24,25,27)