(phenylmethyl) 2-aminocarbonyl-2-azanyl-3-heptyl-3-(2-oxidanylidenecyclohexyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-aminocarbonyl-2-azanyl-3-heptyl-3-(2-oxidanylidenecyclohexyl)pyrrolidine-1-carboxylate Openeye Name: benzyl 2-amino-2-carbamoyl-3-heptyl-3-(2-oxocyclohexyl)pyrrolidine-1-carboxylate CAS Name: 2-amino-2-carbamoyl-3-heptyl-3-(2-oxocyclohexyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-2-carbamoyl-3-heptyl-3-(2-oxocyclohexyl)pyrrolidine-1-carboxylate Traditional Name: 2-amino-2-carbamoyl-3-heptyl-3-(2-ketocyclohexyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H39N3O4 MolecularWeight: 457.60556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCN(C1(C(=O)N)N)C(=O)OCC2=CC=CC=C2)C3CCCCC3=O

Isomeric SMILES

CCCCCCCC1(CCN(C1(C(=O)N)N)C(=O)OCC2=CC=CC=C2)C3CCCCC3=O

InChI

InChI=1S/C26H39N3O4/c1-2-3-4-5-11-16-25(21-14-9-10-15-22(21)30)17-18-29(26(25,28)23(27)31)24(32)33-19-20-12-7-6-8-13-20/h6-8,12-13,21H,2-5,9-11,14-19,28H2,1H3,(H2,27,31)