methyl 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCN(C2)C(=O)C=CC3=CC4=C(C=C3)OCO4)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CCN(C2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4)C=C1

InChI

InChI=1S/C21H19NO5/c1-25-21(24)16-5-4-15-8-9-22(12-17(15)11-16)20(23)7-3-14-2-6-18-19(10-14)27-13-26-18/h2-7,10-11H,8-9,12-13H2,1H3/b7-3+