3-[4-[1-[(3-methylphenyl)carbonylamino]-2-prop-2-enoxy-ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[1-[(3-methylphenyl)carbonylamino]-2-prop-2-enoxy-ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-allyloxy-1-[(3-methylbenzoyl)amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[1-[[(3-methylphenyl)-oxomethyl]amino]-2-prop-2-enoxyethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-[(3-methylbenzoyl)amino]-2-prop-2-enoxyethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-allyloxy-1-(m-toluoylamino)ethyl]phenyl]propionic acid Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(COCC=C)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(COCC=C)C2=CC=C(C=C2)CCC(=O)O

InChI

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