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

Systemtic Name: 2-[[3-(aminomethyl)phenyl]carbonyl-cyclohexyl-amino]ethanoic acid Openeye Name: 2-[[3-(aminomethyl)benzoyl]-cyclohexyl-amino]acetic acid CAS Name: 2-[[[3-(aminomethyl)phenyl]-oxomethyl]-cyclohexylamino]acetic acid IUPAC Name: 2-[[3-(aminomethyl)benzoyl]-cyclohexylamino]acetic acid Traditional Name: 2-[[3-(aminomethyl)benzoyl]-cyclohexyl-amino]acetic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC(=O)O)C(=O)C2=CC(=CC=C2)CN

Isomeric SMILES

C1CCC(CC1)N(CC(=O)O)C(=O)C2=CC(=CC=C2)CN

InChI

InChI=1S/C16H22N2O3/c17-10-12-5-4-6-13(9-12)16(21)18(11-15(19)20)14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11,17H2,(H,19,20)