methyl 3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 4-chloro-3-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]benzoate CAS Name: 4-chloro-3-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoate Traditional Name: 4-chloro-3-(4-phthalimidobutanoylamino)benzoic acid methyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H17ClN2O5/c1-28-20(27)12-8-9-15(21)16(11-12)22-17(24)7-4-10-23-18(25)13-5-2-3-6-14(13)19(23)26/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,22,24)