2-[5-[1,3-bis(oxidanylidene)-4,5,6,7-tetrahydroisoindol-2-yl]-2-chloranyl-phenoxy]butanoic acid

Systemtic Name: 2-[5-[1,3-bis(oxidanylidene)-4,5,6,7-tetrahydroisoindol-2-yl]-2-chloranyl-phenoxy]butanoic acid Openeye Name: 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenoxy]butanoic acid CAS Name: 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenoxy]butanoic acid IUPAC Name: 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenoxy]butanoic acid Traditional Name: 2-[2-chloro-5-(1,3-diketo-4,5,6,7-tetrahydroisoindol-2-yl)phenoxy]butyric acid Formula: C18H18ClNO5 MolecularWeight: 363.79222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Cl

Isomeric SMILES

CCC(C(=O)O)OC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Cl

InChI

InChI=1S/C18H18ClNO5/c1-2-14(18(23)24)25-15-9-10(7-8-13(15)19)20-16(21)11-5-3-4-6-12(11)17(20)22/h7-9,14H,2-6H2,1H3,(H,23,24)