tert-butyl 3-[[5-(4-cyano-2-methyl-but-3-yn-2-yl)-2-methoxy-phenyl]methylamino]-2-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[5-(4-cyano-2-methyl-but-3-yn-2-yl)-2-methoxy-phenyl]methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[5-(3-cyano-1,1-dimethyl-prop-2-ynyl)-2-methoxy-phenyl]methylamino]-2-phenyl-piperidine-1-carboxylate CAS Name: 3-[[5-(4-cyano-2-methylbut-3-yn-2-yl)-2-methoxyphenyl]methylamino]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[5-(4-cyano-2-methylbut-3-yn-2-yl)-2-methoxyphenyl]methylamino]-2-phenylpiperidine-1-carboxylate Traditional Name: 3-[[5-(3-cyano-1,1-dimethyl-prop-2-ynyl)-2-methoxy-benzyl]amino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C30H37N3O3 MolecularWeight: 487.63308

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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)C(C)(C)C#CC#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H37N3O3/c1-29(2,3)36-28(34)33-19-10-14-25(27(33)22-12-8-7-9-13-22)32-21-23-20-24(15-16-26(23)35-6)30(4,5)17-11-18-31/h7-9,12-13,15-16,20,25,27,32H,10,14,19,21H2,1-6H3