2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenoxy]acetic acid CAS Name: 2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenoxy]acetic acid IUPAC Name: 2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenoxy]acetic acid Traditional Name: 2-[4-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenoxy]acetic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C16H17NO5/c18-14(19)9-22-11-7-5-10(6-8-11)17-15(20)12-3-1-2-4-13(12)16(17)21/h5-8,12-13H,1-4,9H2,(H,18,19)