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

Systemtic Name: 2-[[3-(aminomethyl)phenyl]carbonyl-[1-(2-methylpropanoyl)piperidin-4-yl]amino]ethanoic acid Openeye Name: 2-[[3-(aminomethyl)benzoyl]-[1-(2-methylpropanoyl)-4-piperidyl]amino]acetic acid CAS Name: 2-[[[3-(aminomethyl)phenyl]-oxomethyl]-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]amino]acetic acid IUPAC Name: 2-[[3-(aminomethyl)benzoyl]-[1-(2-methylpropanoyl)piperidin-4-yl]amino]acetic acid Traditional Name: 2-[[3-(aminomethyl)benzoyl]-(1-isobutyryl-4-piperidyl)amino]acetic acid Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-13(2)18(25)21-8-6-16(7-9-21)22(12-17(23)24)19(26)15-5-3-4-14(10-15)11-20/h3-5,10,13,16H,6-9,11-12,20H2,1-2H3,(H,23,24)