tert-butyl 4-[4-[(3,4-dimethoxyphenyl)amino]-4-(4-phenylmethoxyphenyl)but-2-ynyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(3,4-dimethoxyphenyl)amino]-4-(4-phenylmethoxyphenyl)but-2-ynyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-benzyloxyphenyl)-4-(3,4-dimethoxyanilino)but-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[4-(3,4-dimethoxyanilino)-4-(4-phenylmethoxyphenyl)but-2-ynyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3,4-dimethoxyanilino)-4-(4-phenylmethoxyphenyl)but-2-ynyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-benzoxyphenyl)-4-(3,4-dimethoxyanilino)but-2-ynyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C34H41N3O5 MolecularWeight: 571.70644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC#CC(C2=CC=C(C=C2)OCC3=CC=CC=C3)NC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC#CC(C2=CC=C(C=C2)OCC3=CC=CC=C3)NC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C34H41N3O5/c1-34(2,3)42-33(38)37-22-20-36(21-23-37)19-9-12-30(35-28-15-18-31(39-4)32(24-28)40-5)27-13-16-29(17-14-27)41-25-26-10-7-6-8-11-26/h6-8,10-11,13-18,24,30,35H,19-23,25H2,1-5H3