3-[4-[2-[(5-methyl-2-prop-2-enoxy-phenyl)carbonylamino]ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(5-methyl-2-prop-2-enoxy-phenyl)carbonylamino]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(2-allyloxy-5-methyl-benzoyl)amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(5-methyl-2-prop-2-enoxyphenyl)-oxomethyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(5-methyl-2-prop-2-enoxybenzoyl)amino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[(2-allyloxy-5-methyl-benzoyl)amino]ethyl]phenyl]propionic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC=C)C(=O)NCCC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCC=C)C(=O)NCCC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C22H25NO4/c1-3-14-27-20-10-4-16(2)15-19(20)22(26)23-13-12-18-7-5-17(6-8-18)9-11-21(24)25/h3-8,10,15H,1,9,11-14H2,2H3,(H,23,26)(H,24,25)