tert-butyl 4-(naphthalen-2-ylcarbamoylamino)-5-oxidanylidene-1-pentyl-pyrrolidine-3-carboxylate

Systemtic Name: tert-butyl 4-(naphthalen-2-ylcarbamoylamino)-5-oxidanylidene-1-pentyl-pyrrolidine-3-carboxylate Openeye Name: tert-butyl 4-(2-naphthylcarbamoylamino)-5-oxo-1-pentyl-pyrrolidine-3-carboxylate CAS Name: 4-[[(2-naphthalenylamino)-oxomethyl]amino]-5-oxo-1-pentyl-3-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(naphthalen-2-ylcarbamoylamino)-5-oxo-1-pentylpyrrolidine-3-carboxylate Traditional Name: 1-amyl-5-keto-4-(2-naphthylcarbamoylamino)pyrrolidine-3-carboxylic acid tert-butyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CC(C(C1=O)NC(=O)NC2=CC3=CC=CC=C3C=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCN1CC(C(C1=O)NC(=O)NC2=CC3=CC=CC=C3C=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H33N3O4/c1-5-6-9-14-28-16-20(23(30)32-25(2,3)4)21(22(28)29)27-24(31)26-19-13-12-17-10-7-8-11-18(17)15-19/h7-8,10-13,15,20-21H,5-6,9,14,16H2,1-4H3,(H2,26,27,31)