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

Systemtic Name: 4-[[(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid Openeye Name: 4-[[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acryloyl]amino]-3-methyl-benzoic acid Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)NC2=C(C=C(C=C2)C(=O)O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)NC2=C(C=C(C=C2)C(=O)O)C)OC

InChI

InChI=1S/C20H20ClNO5/c1-4-27-19-15(21)10-13(11-17(19)26-3)5-8-18(23)22-16-7-6-14(20(24)25)9-12(16)2/h5-11H,4H2,1-3H3,(H,22,23)(H,24,25)/b8-5+