1-[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxoprop-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)acryloyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C=CC(=O)N3CCCC4=C(C=CC=C43)C(=O)O

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)/C=C/C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

InChI

InChI=1S/C22H21NO6/c1-27-18-12-14(13-19-21(18)29-11-10-28-19)7-8-20(24)23-9-3-5-15-16(22(25)26)4-2-6-17(15)23/h2,4,6-8,12-13H,3,5,9-11H2,1H3,(H,25,26)/b8-7+