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

Systemtic Name: 4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid Openeye Name: 4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[(E)-3-(3-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)acryloyl]amino]-3-methyl-benzoic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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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)C(=O)O)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-4-11-27-18-9-5-15(13-19(18)26-3)6-10-20(23)22-17-8-7-16(21(24)25)12-14(17)2/h5-10,12-13H,4,11H2,1-3H3,(H,22,23)(H,24,25)/b10-6+