methyl 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(2-methoxy-2-oxidanylidene-ethyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(2-methoxy-2-oxidanylidene-ethyl)-1H-isoquinoline-2-carboxylate Openeye Name: methyl 3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-(2-methoxy-2-oxo-ethyl)-1H-isoquinoline-2-carboxylate CAS Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(2-methoxy-2-oxoethyl)-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(2-methoxy-2-oxoethyl)-1H-isoquinoline-2-carboxylate Traditional Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-(2-keto-2-methoxy-ethyl)-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C23H21NO6 MolecularWeight: 407.41594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C2=CC=CC=C2C=C(N1C(=O)OC)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)CC1C2=CC=CC=C2C=C(N1C(=O)OC)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H21NO6/c1-27-22(25)13-19-18-6-4-3-5-16(18)12-17(24(19)23(26)28-2)9-7-15-8-10-20-21(11-15)30-14-29-20/h3-12,19H,13-14H2,1-2H3/b9-7+