1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C20H17NO5 MolecularWeight: 351.35268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)C=CC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)/C=C/C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C20H17NO5/c22-19(9-7-13-6-8-17-18(11-13)26-12-25-17)21-10-2-4-14-15(20(23)24)3-1-5-16(14)21/h1,3,5-9,11H,2,4,10,12H2,(H,23,24)/b9-7+