methyl 4-[[1-[4-(aminomethyl)phenyl]piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[1-[4-(aminomethyl)phenyl]piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[1-[4-(aminomethyl)phenyl]piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[1-[4-(aminomethyl)phenyl]-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-[4-(aminomethyl)phenyl]piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-[4-(aminomethyl)phenyl]isonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2CCN(CC2)C3=CC=C(C=C3)CN

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2CCN(CC2)C3=CC=C(C=C3)CN

InChI

InChI=1S/C21H31N3O3/c1-27-21(26)17-4-6-18(7-5-17)23-20(25)16-10-12-24(13-11-16)19-8-2-15(14-22)3-9-19/h2-3,8-9,16-18H,4-7,10-14,22H2,1H3,(H,23,25)