tert-butyl 3-[[5-(cyanomethyl)-2-methoxy-phenyl]methylamino]-2-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[5-(cyanomethyl)-2-methoxy-phenyl]methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[5-(cyanomethyl)-2-methoxy-phenyl]methylamino]-2-phenyl-piperidine-1-carboxylate CAS Name: 3-[[5-(cyanomethyl)-2-methoxyphenyl]methylamino]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[5-(cyanomethyl)-2-methoxyphenyl]methylamino]-2-phenylpiperidine-1-carboxylate Traditional Name: 3-[[5-(cyanomethyl)-2-methoxy-benzyl]amino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)NCC3=C(C=CC(=C3)CC#N)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)NCC3=C(C=CC(=C3)CC#N)OC

InChI

InChI=1S/C26H33N3O3/c1-26(2,3)32-25(30)29-16-8-11-22(24(29)20-9-6-5-7-10-20)28-18-21-17-19(14-15-27)12-13-23(21)31-4/h5-7,9-10,12-13,17,22,24,28H,8,11,14,16,18H2,1-4H3