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

Systemtic Name: methyl 4-[[4-[4-(aminomethyl)phenyl]piperidin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[4-[4-(aminomethyl)phenyl]piperidine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-[4-(aminomethyl)phenyl]-1-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-[4-(aminomethyl)phenyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-[4-(aminomethyl)phenyl]piperidine-1-carbonyl]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)N2CCC(CC2)C3=CC=C(C=C3)CN

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)N2CCC(CC2)C3=CC=C(C=C3)CN

InChI

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