4-[4-[(E)-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[(E)-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]phenoxy]butanoic acid Openeye Name: 4-[4-[(E)-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]phenoxy]butanoic acid CAS Name: 4-[4-[(E)-3-(4-methoxy-3-methylphenyl)-1-oxoprop-2-enyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[(E)-3-(4-methoxy-3-methylphenyl)prop-2-enoyl]phenoxy]butanoic acid Traditional Name: 4-[4-[(E)-3-(4-methoxy-3-methyl-phenyl)acryloyl]phenoxy]butyric acid Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)OCCCC(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)OCCCC(=O)O)OC

InChI

InChI=1S/C21H22O5/c1-15-14-16(6-12-20(15)25-2)5-11-19(22)17-7-9-18(10-8-17)26-13-3-4-21(23)24/h5-12,14H,3-4,13H2,1-2H3,(H,23,24)/b11-5+