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

Systemtic Name: 1-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(E)-3-(4-ethylphenyl)-1-oxoprop-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[(E)-3-(4-ethylphenyl)acryloyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC(=O)N2CCCC3=C(C=CC=C32)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)N2CCCC3=C(C=CC=C32)C(=O)O

InChI

InChI=1S/C21H21NO3/c1-2-15-8-10-16(11-9-15)12-13-20(23)22-14-4-6-17-18(21(24)25)5-3-7-19(17)22/h3,5,7-13H,2,4,6,14H2,1H3,(H,24,25)/b13-12+