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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-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-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-25-19-9-6-16(7-10-19)8-11-21(24)26-15-20(23)22-13-12-17-4-2-3-5-18(17)14-22/h2-11H,12-15H2,1H3/b11-8+