[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate Traditional Name: 4-succinimidobenzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O

InChI

InChI=1S/C20H24N2O5/c1-14(19(25)21-12-4-2-3-5-13-21)27-20(26)15-6-8-16(9-7-15)22-17(23)10-11-18(22)24/h6-9,14H,2-5,10-13H2,1H3