2-[[2-(2-methoxyethyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-5-methyl-benzoic acid

Systemtic Name: 2-[[2-(2-methoxyethyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-5-methyl-benzoic acid Openeye Name: 2-[[2-(2-methoxyethyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]-5-methyl-benzoic acid CAS Name: 2-[[[2-(2-methoxyethyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]-5-methylbenzoic acid IUPAC Name: 2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-5-methylbenzoic acid Traditional Name: 2-[[1,3-diketo-2-(2-methoxyethyl)isoindoline-5-carbonyl]amino]-5-methyl-benzoic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCOC)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCOC)C(=O)O

InChI

InChI=1S/C20H18N2O6/c1-11-3-6-16(15(9-11)20(26)27)21-17(23)12-4-5-13-14(10-12)19(25)22(18(13)24)7-8-28-2/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,26,27)