2-[[3-(aminomethyl)phenyl]carbonyl-(1-ethanoylpiperidin-4-yl)amino]ethanoic acid

Systemtic Name: 2-[[3-(aminomethyl)phenyl]carbonyl-(1-ethanoylpiperidin-4-yl)amino]ethanoic acid Openeye Name: 2-[(1-acetyl-4-piperidyl)-[3-(aminomethyl)benzoyl]amino]acetic acid CAS Name: 2-[(1-acetyl-4-piperidinyl)-[[3-(aminomethyl)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-acetylpiperidin-4-yl)-[3-(aminomethyl)benzoyl]amino]acetic acid Traditional Name: 2-[(1-acetyl-4-piperidyl)-[3-(aminomethyl)benzoyl]amino]acetic acid Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)N(CC(=O)O)C(=O)C2=CC(=CC=C2)CN

Isomeric SMILES

CC(=O)N1CCC(CC1)N(CC(=O)O)C(=O)C2=CC(=CC=C2)CN

InChI

InChI=1S/C17H23N3O4/c1-12(21)19-7-5-15(6-8-19)20(11-16(22)23)17(24)14-4-2-3-13(9-14)10-18/h2-4,9,15H,5-8,10-11,18H2,1H3,(H,22,23)