6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-propoxy-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-propoxy-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-propoxy-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-propoxy-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-propoxycyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-propoxy-cyclohexa-1,3-diene-1-carboxylic acid Formula: C24H22Cl2N2O3 MolecularWeight: 457.34908

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C(C1)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C(C1)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O

InChI

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