tert-butyl 4-[3-(1,7-diphenylheptan-4-ylamino)-3-oxidanylidene-propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(1,7-diphenylheptan-4-ylamino)-3-oxidanylidene-propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-oxo-3-[[4-phenyl-1-(3-phenylpropyl)butyl]amino]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(1,7-diphenylheptan-4-ylamino)-1,3-dioxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(1,7-diphenylheptan-4-ylamino)-3-oxopropanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-keto-3-[[4-phenyl-1-(3-phenylpropyl)butyl]amino]propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C31H43N3O4 MolecularWeight: 521.69082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC(=O)NC(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC(=O)NC(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C31H43N3O4/c1-31(2,3)38-30(37)34-22-20-33(21-23-34)29(36)24-28(35)32-27(18-10-16-25-12-6-4-7-13-25)19-11-17-26-14-8-5-9-15-26/h4-9,12-15,27H,10-11,16-24H2,1-3H3,(H,32,35)