(phenylmethyl) 2-[[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-hexan-3-yl]oxymethyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-hexan-3-yl]oxymethyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[1-[2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl]butoxymethyl]pyrrolidine-1-carboxylate CAS Name: 2-[[1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-3-yl]oxymethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-3-yl]oxymethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[1-[2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl]butoxymethyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)NCC(=O)N)OCC1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC(CC(=O)NCC(=O)N)OCC1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O5/c1-2-7-18(12-20(26)23-13-19(22)25)28-15-17-10-6-11-24(17)21(27)29-14-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3,(H2,22,25)(H,23,26)