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

Systemtic Name: 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]methyl]benzoic acid Openeye Name: 4-[[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]methyl]benzoic acid CAS Name: 4-[[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]methyl]benzoic acid IUPAC Name: 4-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]benzoic acid Traditional Name: 4-[(4-phthalimidobutanoylamino)methyl]benzoic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N2O5/c23-17(21-12-13-7-9-14(10-8-13)20(26)27)6-3-11-22-18(24)15-4-1-2-5-16(15)19(22)25/h1-2,4-5,7-10H,3,6,11-12H2,(H,21,23)(H,26,27)