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

Systemtic Name: 1-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(E)-1-oxo-3-(2,4,5-trimethoxyphenyl)prop-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[(E)-3-asarylacryloyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C22H23NO6 MolecularWeight: 397.42112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)N2CCCC3=C(C=CC=C32)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)OC)OC

InChI

InChI=1S/C22H23NO6/c1-27-18-13-20(29-3)19(28-2)12-14(18)9-10-21(24)23-11-5-7-15-16(22(25)26)6-4-8-17(15)23/h4,6,8-10,12-13H,5,7,11H2,1-3H3,(H,25,26)/b10-9+