(E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxy-phenyl]acrylic acid Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)O)CN2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)O)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H21NO3/c1-24-19-8-6-15(7-9-20(22)23)12-18(19)14-21-11-10-16-4-2-3-5-17(16)13-21/h2-9,12H,10-11,13-14H2,1H3,(H,22,23)/b9-7+