3-(3-methoxy-4-methyl-phenyl)-2-[2-[(phenylmethyl)amino]ethanoylamino]propanoic acid

Systemtic Name: 3-(3-methoxy-4-methyl-phenyl)-2-[2-[(phenylmethyl)amino]ethanoylamino]propanoic acid Openeye Name: 2-[[2-(benzylamino)acetyl]amino]-3-(3-methoxy-4-methyl-phenyl)propanoic acid CAS Name: 3-(3-methoxy-4-methylphenyl)-2-[[1-oxo-2-[(phenylmethyl)amino]ethyl]amino]propanoic acid IUPAC Name: 2-[[2-(benzylamino)acetyl]amino]-3-(3-methoxy-4-methylphenyl)propanoic acid Traditional Name: 2-[[2-(benzylamino)acetyl]amino]-3-(3-methoxy-4-methyl-phenyl)propionic acid Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)CNCC2=CC=CC=C2)OC

Isomeric SMILES

CC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)CNCC2=CC=CC=C2)OC

InChI

InChI=1S/C20H24N2O4/c1-14-8-9-16(11-18(14)26-2)10-17(20(24)25)22-19(23)13-21-12-15-6-4-3-5-7-15/h3-9,11,17,21H,10,12-13H2,1-2H3,(H,22,23)(H,24,25)