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

Systemtic Name: 1-[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)acryloyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO5/c1-27-18-12-13(11-16(22)20(18)28-2)8-9-19(24)23-10-4-6-14-15(21(25)26)5-3-7-17(14)23/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,25,26)/b9-8+