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

Systemtic Name: tert-butyl 3-[[5-(1-cyanoethyl)-2-methoxy-phenyl]methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[5-(1-cyanoethyl)-2-methoxy-phenyl]methylamino]-2-phenyl-piperidine-1-carboxylate CAS Name: 3-[[5-(1-cyanoethyl)-2-methoxyphenyl]methylamino]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[5-(1-cyanoethyl)-2-methoxyphenyl]methylamino]-2-phenylpiperidine-1-carboxylate Traditional Name: 3-[[5-(1-cyanoethyl)-2-methoxy-benzyl]amino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC(=C(C=C1)OC)CNC2CCCN(C2C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C#N)C1=CC(=C(C=C1)OC)CNC2CCCN(C2C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H35N3O3/c1-19(17-28)21-13-14-24(32-5)22(16-21)18-29-23-12-9-15-30(26(31)33-27(2,3)4)25(23)20-10-7-6-8-11-20/h6-8,10-11,13-14,16,19,23,25,29H,9,12,15,18H2,1-5H3