2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[(E)-3-(2-furyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[(E)-3-(2-furyl)acryloyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H15NO4 MolecularWeight: 297.3053

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C=CC3=CC=CO3)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)/C=C/C3=CC=CO3)C(=O)O

InChI

InChI=1S/C17H15NO4/c19-16(8-7-14-6-3-9-22-14)18-11-13-5-2-1-4-12(13)10-15(18)17(20)21/h1-9,15H,10-11H2,(H,20,21)/b8-7+