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

Systemtic Name: 2-[[3-(aminomethyl)phenyl]carbonyl-(4-ethylphenyl)amino]ethanoic acid Openeye Name: 2-(N-[3-(aminomethyl)benzoyl]-4-ethyl-anilino)acetic acid CAS Name: 2-(N-[[3-(aminomethyl)phenyl]-oxomethyl]-4-ethylanilino)acetic acid IUPAC Name: 2-(N-[3-(aminomethyl)benzoyl]-4-ethylanilino)acetic acid Traditional Name: 2-(N-[3-(aminomethyl)benzoyl]-4-ethyl-anilino)acetic acid Formula: C18H20N2O3 MolecularWeight: 312.363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC(=CC=C2)CN

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC(=CC=C2)CN

InChI

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