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

Systemtic Name: 2-[[3-(aminomethyl)phenyl]carbonyl-(4-aminophenyl)amino]ethanoic acid Openeye Name: 2-(4-amino-N-[3-(aminomethyl)benzoyl]anilino)acetic acid CAS Name: 2-(4-amino-N-[[3-(aminomethyl)phenyl]-oxomethyl]anilino)acetic acid IUPAC Name: 2-(4-amino-N-[3-(aminomethyl)benzoyl]anilino)acetic acid Traditional Name: 2-(4-amino-N-[3-(aminomethyl)benzoyl]anilino)acetic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3/c17-9-11-2-1-3-12(8-11)16(22)19(10-15(20)21)14-6-4-13(18)5-7-14/h1-8H,9-10,17-18H2,(H,20,21)