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

Systemtic Name: 4-[[4-[4-(aminomethyl)phenyl]piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[4-[4-(aminomethyl)phenyl]piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[4-[4-(aminomethyl)phenyl]-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[4-[4-(aminomethyl)phenyl]piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-[4-(aminomethyl)phenyl]piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)CN

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)CN

InChI

InChI=1S/C19H28N4O3/c20-13-14-1-7-17(8-2-14)22-9-11-23(12-10-22)19(26)21-16-5-3-15(4-6-16)18(24)25/h1-2,7-8,15-16H,3-6,9-13,20H2,(H,21,26)(H,24,25)