2-[[3-(aminomethyl)phenyl]carbonyl-(4-phenoxyphenyl)amino]ethanoic acid

Systemtic Name: 2-[[3-(aminomethyl)phenyl]carbonyl-(4-phenoxyphenyl)amino]ethanoic acid Openeye Name: 2-(N-[3-(aminomethyl)benzoyl]-4-phenoxy-anilino)acetic acid CAS Name: 2-(N-[[3-(aminomethyl)phenyl]-oxomethyl]-4-phenoxyanilino)acetic acid IUPAC Name: 2-(N-[3-(aminomethyl)benzoyl]-4-phenoxyanilino)acetic acid Traditional Name: 2-(N-[3-(aminomethyl)benzoyl]-4-phenoxy-anilino)acetic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N(CC(=O)O)C(=O)C3=CC(=CC=C3)CN

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N(CC(=O)O)C(=O)C3=CC(=CC=C3)CN

InChI

InChI=1S/C22H20N2O4/c23-14-16-5-4-6-17(13-16)22(27)24(15-21(25)26)18-9-11-20(12-10-18)28-19-7-2-1-3-8-19/h1-13H,14-15,23H2,(H,25,26)