4-[[(E)-3-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid

Systemtic Name: 4-[[(E)-3-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid Openeye Name: 4-[[(E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[(E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[(E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[(E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)acryloyl]amino]-3-methyl-benzoic acid Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)NC2=C(C=C(C=C2)C(=O)O)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)NC2=C(C=C(C=C2)C(=O)O)C)OCC

InChI

InChI=1S/C22H24ClNO5/c1-4-10-29-21-17(23)12-15(13-19(21)28-5-2)6-9-20(25)24-18-8-7-16(22(26)27)11-14(18)3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,25)(H,26,27)/b9-6+