[1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-propenoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,3-dimethoxyphenyl)acrylic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C=CC2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)/C=C/C2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C22H25NO5/c1-16(22(25)23-15-14-17-8-5-4-6-9-17)28-20(24)13-12-18-10-7-11-19(26-2)21(18)27-3/h4-13,16H,14-15H2,1-3H3,(H,23,25)/b13-12+