tert-butyl N-[7-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-7-oxidanylidene-heptyl]carbamate

Systemtic Name: tert-butyl N-[7-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-7-oxidanylidene-heptyl]carbamate Openeye Name: tert-butyl N-[7-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-7-oxo-heptyl]carbamate CAS Name: N-[7-[methyl-[4-(1-pyrrolidinyl)but-2-ynyl]amino]-7-oxoheptyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[7-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-7-oxoheptyl]carbamate Traditional Name: N-[7-keto-7-[methyl(4-pyrrolidinobut-2-ynyl)amino]heptyl]carbamic acid tert-butyl ester Formula: C21H37N3O3 MolecularWeight: 379.53678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCC(=O)N(C)CC#CCN1CCCC1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCC(=O)N(C)CC#CCN1CCCC1

InChI

InChI=1S/C21H37N3O3/c1-21(2,3)27-20(26)22-14-8-6-5-7-13-19(25)23(4)15-9-10-16-24-17-11-12-18-24/h5-8,11-18H2,1-4H3,(H,22,26)