[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dimethoxyphenyl)acrylic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H22N2O6/c1-27-17-10-8-15(12-18(17)28-2)9-11-20(25)29-14-19(24)23-21(26)22-13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H2,22,23,24,26)/b11-9+