tert-butyl [5-[[3,3-dimethylbutanoyl(2-naphthalen-1-ylethyl)amino]methyl]pyrrolidin-3-yl]sulfanylmethanoate

Systemtic Name: tert-butyl [5-[[3,3-dimethylbutanoyl(2-naphthalen-1-ylethyl)amino]methyl]pyrrolidin-3-yl]sulfanylmethanoate Openeye Name: tert-butyl [5-[[3,3-dimethylbutanoyl-[2-(1-naphthyl)ethyl]amino]methyl]pyrrolidin-3-yl]sulfanylformate CAS Name: [[5-[[(3,3-dimethyl-1-oxobutyl)-[2-(1-naphthalenyl)ethyl]amino]methyl]-3-pyrrolidinyl]thio]formic acid tert-butyl ester IUPAC Name: tert-butyl [5-[[3,3-dimethylbutanoyl(2-naphthalen-1-ylethyl)amino]methyl]pyrrolidin-3-yl]sulfanylformate Traditional Name: [[5-[[3,3-dimethylbutanoyl-[2-(1-naphthyl)ethyl]amino]methyl]pyrrolidin-3-yl]thio]formic acid tert-butyl ester Formula: C28H40N2O3S MolecularWeight: 484.6938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CCC1=CC=CC2=CC=CC=C21)CC3CC(CN3)SC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)CC(=O)N(CCC1=CC=CC2=CC=CC=C21)CC3CC(CN3)SC(=O)OC(C)(C)C

InChI

InChI=1S/C28H40N2O3S/c1-27(2,3)17-25(31)30(15-14-21-12-9-11-20-10-7-8-13-24(20)21)19-22-16-23(18-29-22)34-26(32)33-28(4,5)6/h7-13,22-23,29H,14-19H2,1-6H3