[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate CAS Name: 2-[[oxo-[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]amino]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate Traditional Name: 2-[[4-(2-ketopyrrolidino)benzoyl]amino]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C21H27N3O5/c25-18-6-5-13-24(18)17-9-7-16(8-10-17)21(28)22-14-20(27)29-15-19(26)23-11-3-1-2-4-12-23/h7-10H,1-6,11-15H2,(H,22,28)