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

Systemtic Name: 5-chloranyl-2-methoxy-4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 5-chloro-2-methoxy-4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 5-chloro-2-methoxy-4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)acryloyl]amino]benzoic acid Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C=C(C(=C2)OC)C(=O)O)Cl)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C=C(C(=C2)OC)C(=O)O)Cl)OC

InChI

InChI=1S/C21H22ClNO6/c1-4-9-29-17-7-5-13(10-19(17)28-3)6-8-20(24)23-16-12-18(27-2)14(21(25)26)11-15(16)22/h5-8,10-12H,4,9H2,1-3H3,(H,23,24)(H,25,26)/b8-6+