methyl 4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-5-chloranyl-2-methoxy-benzoate

Systemtic Name: methyl 4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-5-chloranyl-2-methoxy-benzoate Openeye Name: methyl 5-chloro-4-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-2-methoxy-benzoate CAS Name: 5-chloro-4-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-chloro-4-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxybenzoate Traditional Name: 5-chloro-2-methoxy-4-(4-phthalimidobutanoylamino)benzoic acid methyl ester Formula: C21H19ClN2O6 MolecularWeight: 430.83836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OC)Cl)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OC)Cl)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H19ClN2O6/c1-29-17-11-16(15(22)10-14(17)21(28)30-2)23-18(25)8-5-9-24-19(26)12-6-3-4-7-13(12)20(24)27/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,23,25)