tert-butyl N-[1-[1-(4-cyano-3-methyl-phenyl)hexyl]pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[1-(4-cyano-3-methyl-phenyl)hexyl]pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[1-(4-cyano-3-methyl-phenyl)hexyl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[1-(4-cyano-3-methylphenyl)hexyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[1-(4-cyano-3-methylphenyl)hexyl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[1-(4-cyano-3-methyl-phenyl)hexyl]pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C23H35N3O2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCC(C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCC(C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H35N3O2/c1-6-7-8-9-21(18-10-11-19(15-24)17(2)14-18)26-13-12-20(16-26)25-22(27)28-23(3,4)5/h10-11,14,20-21H,6-9,12-13,16H2,1-5H3,(H,25,27)