(phenylmethyl) N-[2-(1-azanyl-3-ethyl-pentyl)-5-ethanoyl-1-(phenylmethyl)pyrrolidin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[2-(1-azanyl-3-ethyl-pentyl)-5-ethanoyl-1-(phenylmethyl)pyrrolidin-3-yl]carbamate Openeye Name: benzyl N-[5-acetyl-2-(1-amino-3-ethyl-pentyl)-1-benzyl-pyrrolidin-3-yl]carbamate CAS Name: N-[5-acetyl-2-(1-amino-3-ethylpentyl)-1-(phenylmethyl)-3-pyrrolidinyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-acetyl-2-(1-amino-3-ethylpentyl)-1-benzylpyrrolidin-3-yl]carbamate Traditional Name: N-[5-acetyl-2-(1-amino-3-ethyl-pentyl)-1-benzyl-pyrrolidin-3-yl]carbamic acid benzyl ester Formula: C28H39N3O3 MolecularWeight: 465.62756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC(C1C(CC(N1CC2=CC=CC=C2)C(=O)C)NC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CCC(CC)CC(C1C(CC(N1CC2=CC=CC=C2)C(=O)C)NC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C28H39N3O3/c1-4-21(5-2)16-24(29)27-25(30-28(33)34-19-23-14-10-7-11-15-23)17-26(20(3)32)31(27)18-22-12-8-6-9-13-22/h6-15,21,24-27H,4-5,16-19,29H2,1-3H3,(H,30,33)