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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-phthalimidobenzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22N2O5/c1-3-15(4-2)23-19(25)13-29-22(28)14-8-7-9-16(12-14)24-20(26)17-10-5-6-11-18(17)21(24)27/h5-12,15H,3-4,13H2,1-2H3,(H,23,25)