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

Systemtic Name: 4-[[1-[4-(aminomethyl)phenyl]piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-[4-(aminomethyl)phenyl]piperidine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[1-[4-(aminomethyl)phenyl]-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-[4-(aminomethyl)phenyl]piperidine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-[4-(aminomethyl)phenyl]isonipecotoyl]amino]cyclohexanecarboxylic acid Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)C2CCN(CC2)C3=CC=C(C=C3)CN

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)C2CCN(CC2)C3=CC=C(C=C3)CN

InChI

InChI=1S/C20H29N3O3/c21-13-14-1-7-18(8-2-14)23-11-9-15(10-12-23)19(24)22-17-5-3-16(4-6-17)20(25)26/h1-2,7-8,15-17H,3-6,9-13,21H2,(H,22,24)(H,25,26)