2-acetamido-4-[5-methoxy-2-[(phenylmethyl)amino]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-acetamido-4-[5-methoxy-2-[(phenylmethyl)amino]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 2-acetamido-4-[2-(benzylamino)-5-methoxy-phenyl]-4-oxo-butanoic acid CAS Name: 2-acetamido-4-[5-methoxy-2-[(phenylmethyl)amino]phenyl]-4-oxobutanoic acid IUPAC Name: 2-acetamido-4-[2-(benzylamino)-5-methoxyphenyl]-4-oxobutanoic acid Traditional Name: 2-acetamido-4-[2-(benzylamino)-5-methoxy-phenyl]-4-keto-butyric acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)C1=C(C=CC(=C1)OC)NCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)NC(CC(=O)C1=C(C=CC(=C1)OC)NCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H22N2O5/c1-13(23)22-18(20(25)26)11-19(24)16-10-15(27-2)8-9-17(16)21-12-14-6-4-3-5-7-14/h3-10,18,21H,11-12H2,1-2H3,(H,22,23)(H,25,26)