2-[[3-(aminomethyl)phenyl]carbonyl-(2,5-dimethylphenyl)amino]ethanoic acid

Systemtic Name: 2-[[3-(aminomethyl)phenyl]carbonyl-(2,5-dimethylphenyl)amino]ethanoic acid Openeye Name: 2-(N-[3-(aminomethyl)benzoyl]-2,5-dimethyl-anilino)acetic acid CAS Name: 2-(N-[[3-(aminomethyl)phenyl]-oxomethyl]-2,5-dimethylanilino)acetic acid IUPAC Name: 2-(N-[3-(aminomethyl)benzoyl]-2,5-dimethylanilino)acetic acid Traditional Name: 2-(N-[3-(aminomethyl)benzoyl]-2,5-dimethyl-anilino)acetic acid Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CC(=O)O)C(=O)C2=CC(=CC=C2)CN

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CC(=O)O)C(=O)C2=CC(=CC=C2)CN

InChI

InChI=1S/C18H20N2O3/c1-12-6-7-13(2)16(8-12)20(11-17(21)22)18(23)15-5-3-4-14(9-15)10-19/h3-9H,10-11,19H2,1-2H3,(H,21,22)