3-(4-chlorophenyl)-3-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoylamino]propanoic acid

Systemtic Name: 3-(4-chlorophenyl)-3-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoylamino]propanoic acid Openeye Name: 3-[[2-(4-allyl-2-methoxy-phenoxy)acetyl]amino]-3-(4-chlorophenyl)propanoic acid CAS Name: 3-(4-chlorophenyl)-3-[[2-(2-methoxy-4-prop-2-enylphenoxy)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(4-chlorophenyl)-3-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(4-allyl-2-methoxy-phenoxy)acetyl]amino]-3-(4-chlorophenyl)propionic acid Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H22ClNO5/c1-3-4-14-5-10-18(19(11-14)27-2)28-13-20(24)23-17(12-21(25)26)15-6-8-16(22)9-7-15/h3,5-11,17H,1,4,12-13H2,2H3,(H,23,24)(H,25,26)