4-[[1-[4-(aminomethyl)phenyl]piperidin-4-yl]methyl-methyl-amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1-[4-(aminomethyl)phenyl]piperidin-4-yl]methyl-methyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-[4-(aminomethyl)phenyl]-4-piperidyl]methyl-methyl-amino]cyclohexanecarboxylic acid CAS Name: 4-[[1-[4-(aminomethyl)phenyl]-4-piperidinyl]methyl-methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-[4-(aminomethyl)phenyl]piperidin-4-yl]methyl-methylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-[4-(aminomethyl)phenyl]-4-piperidyl]methyl-methyl-amino]cyclohexanecarboxylic acid Formula: C21H33N3O2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(CC1)C2=CC=C(C=C2)CN)C3CCC(CC3)C(=O)O

Isomeric SMILES

CN(CC1CCN(CC1)C2=CC=C(C=C2)CN)C3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H33N3O2/c1-23(19-8-4-18(5-9-19)21(25)26)15-17-10-12-24(13-11-17)20-6-2-16(14-22)3-7-20/h2-3,6-7,17-19H,4-5,8-15,22H2,1H3,(H,25,26)