methyl (E)-3-[6,7-dimethoxy-1-[(3-propan-2-yloxyphenyl)methyl]isoquinolin-4-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[6,7-dimethoxy-1-[(3-propan-2-yloxyphenyl)methyl]isoquinolin-4-yl]prop-2-enoate Openeye Name: methyl (E)-3-[1-[(3-isopropoxyphenyl)methyl]-6,7-dimethoxy-4-isoquinolyl]prop-2-enoate CAS Name: (E)-3-[6,7-dimethoxy-1-[(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[6,7-dimethoxy-1-[(3-propan-2-yloxyphenyl)methyl]isoquinolin-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(3-isopropoxybenzyl)-6,7-dimethoxy-4-isoquinolyl]acrylic acid methyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)C=CC(=O)OC

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)/C=C/C(=O)OC

InChI

InChI=1S/C25H27NO5/c1-16(2)31-19-8-6-7-17(11-19)12-22-21-14-24(29-4)23(28-3)13-20(21)18(15-26-22)9-10-25(27)30-5/h6-11,13-16H,12H2,1-5H3/b10-9+