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

Systemtic Name: ethyl 4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-3-chloranyl-benzoate Openeye Name: ethyl 3-chloro-4-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]benzoate CAS Name: 3-chloro-4-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoate Traditional Name: 3-chloro-4-(4-phthalimidobutanoylamino)benzoic acid ethyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5/c1-2-29-21(28)13-9-10-17(16(22)12-13)23-18(25)8-5-11-24-19(26)14-6-3-4-7-15(14)20(24)27/h3-4,6-7,9-10,12H,2,5,8,11H2,1H3,(H,23,25)