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

Systemtic Name: 2-[(4-aminocarbonylphenyl)-[3-(aminomethyl)phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-(N-[3-(aminomethyl)benzoyl]-4-carbamoyl-anilino)acetic acid CAS Name: 2-(N-[[3-(aminomethyl)phenyl]-oxomethyl]-4-carbamoylanilino)acetic acid IUPAC Name: 2-(N-[3-(aminomethyl)benzoyl]-4-carbamoylanilino)acetic acid Traditional Name: 2-(N-[3-(aminomethyl)benzoyl]-4-carbamoyl-anilino)acetic acid Formula: C17H17N3O4 MolecularWeight: 327.33458

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4/c18-9-11-2-1-3-13(8-11)17(24)20(10-15(21)22)14-6-4-12(5-7-14)16(19)23/h1-8H,9-10,18H2,(H2,19,23)(H,21,22)