2-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]-4,5-dimethoxy-benzoic acid Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC

InChI

InChI=1S/C22H22N2O7/c1-4-5-8-24-20(26)13-7-6-12(9-14(13)21(24)27)19(25)23-16-11-18(31-3)17(30-2)10-15(16)22(28)29/h6-7,9-11H,4-5,8H2,1-3H3,(H,23,25)(H,28,29)