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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NCC2CCN(CC2)C3=CC=C(C=C3)CN

Isomeric SMILES

COC(=O)C1CCC(CC1)NCC2CCN(CC2)C3=CC=C(C=C3)CN

InChI

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