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

Systemtic Name: 4-[[4-[4-(aminomethyl)phenyl]piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[4-[4-(aminomethyl)phenyl]piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid CAS Name: 4-[[[4-[4-(aminomethyl)phenyl]-1-piperazinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[4-[4-(aminomethyl)phenyl]piperazine-1-carbonyl]-methylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-[4-(aminomethyl)phenyl]piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)CN

Isomeric SMILES

CN(C1CCC(CC1)C(=O)O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)CN

InChI

InChI=1S/C20H30N4O3/c1-22(17-8-4-16(5-9-17)19(25)26)20(27)24-12-10-23(11-13-24)18-6-2-15(14-21)3-7-18/h2-3,6-7,16-17H,4-5,8-14,21H2,1H3,(H,25,26)