tert-butyl 3-[[2-methoxy-5-(5-methoxy-2-methyl-5-oxidanylidene-pent-3-yn-2-yl)phenyl]methylamino]-2-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-methoxy-5-(5-methoxy-2-methyl-5-oxidanylidene-pent-3-yn-2-yl)phenyl]methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-methoxy-5-(4-methoxy-1,1-dimethyl-4-oxo-but-2-ynyl)phenyl]methylamino]-2-phenyl-piperidine-1-carboxylate CAS Name: 3-[[2-methoxy-5-(5-methoxy-2-methyl-5-oxopent-3-yn-2-yl)phenyl]methylamino]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-methoxy-5-(5-methoxy-2-methyl-5-oxopent-3-yn-2-yl)phenyl]methylamino]-2-phenylpiperidine-1-carboxylate Traditional Name: 3-[[5-(4-keto-4-methoxy-1,1-dimethyl-but-2-ynyl)-2-methoxy-benzyl]amino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C31H40N2O5 MolecularWeight: 520.6597

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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(=O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C31H40N2O5/c1-30(2,3)38-29(35)33-19-11-14-25(28(33)22-12-9-8-10-13-22)32-21-23-20-24(15-16-26(23)36-6)31(4,5)18-17-27(34)37-7/h8-10,12-13,15-16,20,25,28,32H,11,14,19,21H2,1-7H3