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

Systemtic Name: 4-[[(E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid Openeye Name: 4-[[(E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[(E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)acryloyl]amino]-3-methyl-benzoic acid Formula: C21H22ClNO5 MolecularWeight: 403.85608

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO5/c1-4-9-28-20-16(22)11-14(12-18(20)27-3)5-8-19(24)23-17-7-6-15(21(25)26)10-13(17)2/h5-8,10-12H,4,9H2,1-3H3,(H,23,24)(H,25,26)/b8-5+