2-[[3,4-bis(chloranyl)-2,3-dihydro-1H-isoindol-5-yl]-phenyl-amino]-4-propan-2-yloxy-benzoic acid

Systemtic Name: 2-[[3,4-bis(chloranyl)-2,3-dihydro-1H-isoindol-5-yl]-phenyl-amino]-4-propan-2-yloxy-benzoic acid Openeye Name: 2-(N-(3,4-dichloroisoindolin-5-yl)anilino)-4-isopropoxy-benzoic acid CAS Name: 2-(N-(3,4-dichloro-2,3-dihydro-1H-isoindol-5-yl)anilino)-4-propan-2-yloxybenzoic acid IUPAC Name: 2-(N-(3,4-dichloro-2,3-dihydro-1H-isoindol-5-yl)anilino)-4-propan-2-yloxybenzoic acid Traditional Name: 2-(N-(3,4-dichloroisoindolin-5-yl)anilino)-4-isopropoxy-benzoic acid Formula: C24H22Cl2N2O3 MolecularWeight: 457.34908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)C(=O)O)N(C2=CC=CC=C2)C3=C(C4=C(CNC4Cl)C=C3)Cl

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)C(=O)O)N(C2=CC=CC=C2)C3=C(C4=C(CNC4Cl)C=C3)Cl

InChI

InChI=1S/C24H22Cl2N2O3/c1-14(2)31-17-9-10-18(24(29)30)20(12-17)28(16-6-4-3-5-7-16)19-11-8-15-13-27-23(26)21(15)22(19)25/h3-12,14,23,27H,13H2,1-2H3,(H,29,30)