methyl 3-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-4-methyl-benzoate CAS Name: 3-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylbenzoate Traditional Name: 3-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]-4-methyl-benzoic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C22H22N2O5/c1-4-5-10-24-20(26)16-9-8-14(11-17(16)21(24)27)19(25)23-18-12-15(22(28)29-3)7-6-13(18)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,25)