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

Systemtic Name: 1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-26-18-10-8-14(13-19(18)27-2)9-11-20(23)22-12-4-6-15-16(21(24)25)5-3-7-17(15)22/h3,5,7-11,13H,4,6,12H2,1-2H3,(H,24,25)/b11-9+