[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethoxyphenyl)-2-propenoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethoxyphenyl)acrylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=CC(=O)OCC(=O)N2CCC3=CC=CC=C3C2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)OC

InChI

InChI=1S/C22H23NO5/c1-26-19-11-16(12-20(13-19)27-2)7-8-22(25)28-15-21(24)23-10-9-17-5-3-4-6-18(17)14-23/h3-8,11-13H,9-10,14-15H2,1-2H3/b8-7+