2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanylidene-4-propan-2-yl-4,5-dihydro-3H-azepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanylidene-4-propan-2-yl-4,5-dihydro-3H-azepin-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)-4-isopropyl-2-oxo-4,5-dihydro-3H-azepin-1-yl]acetic acid CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)-2-oxo-4-propan-2-yl-4,5-dihydro-3H-azepin-1-yl]acetic acid IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-propan-2-yl-4,5-dihydro-3H-azepin-1-yl]acetic acid Traditional Name: 2-(4-isopropyl-2-keto-3-phthalimido-4,5-dihydro-3H-azepin-1-yl)acetic acid Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC=CN(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CC(=O)O

Isomeric SMILES

CC(C)C1CC=CN(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CC(=O)O

InChI

InChI=1S/C19H20N2O5/c1-11(2)12-8-5-9-20(10-15(22)23)19(26)16(12)21-17(24)13-6-3-4-7-14(13)18(21)25/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,22,23)