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

Systemtic Name: 5-chloranyl-2-methoxy-4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: 5-chloro-2-methoxy-4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 5-chloro-2-methoxy-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 5-chloro-2-methoxy-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 5-chloro-2-methoxy-4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)acryloyl]amino]benzoate Formula: C21H21ClNO6- MolecularWeight: 418.84754

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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)/p-1/b8-6+