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

Systemtic Name: 1-[(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-oxoprop-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acryloyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)N2CCCC3=C(C=CC=C32)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)OC

InChI

InChI=1S/C22H22ClNO5/c1-3-29-21-17(23)12-14(13-19(21)28-2)9-10-20(25)24-11-5-7-15-16(22(26)27)6-4-8-18(15)24/h4,6,8-10,12-13H,3,5,7,11H2,1-2H3,(H,26,27)/b10-9+