[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-phthalimidobenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H22N2O5/c26-20(24-12-5-1-2-6-13-24)15-30-23(29)16-8-7-9-17(14-16)25-21(27)18-10-3-4-11-19(18)22(25)28/h3-4,7-11,14H,1-2,5-6,12-13,15H2