4-(azepan-1-yl)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid

Systemtic Name: 4-(azepan-1-yl)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 4-(azepan-1-yl)-3-(1,3-dioxoisoindolin-2-yl)benzoic acid CAS Name: 4-(1-azepanyl)-3-(1,3-dioxo-2-isoindolyl)benzoic acid IUPAC Name: 4-(azepan-1-yl)-3-(1,3-dioxoisoindol-2-yl)benzoic acid Traditional Name: 4-(azepan-1-yl)-3-phthalimido-benzoic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)O)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)O)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N2O4/c24-19-15-7-3-4-8-16(15)20(25)23(19)18-13-14(21(26)27)9-10-17(18)22-11-5-1-2-6-12-22/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,26,27)