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

Systemtic Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-pentoxy-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-pentoxy-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-pentoxy-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-pentoxycyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 4-amoxy-6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)cyclohexa-1,3-diene-1-carboxylic acid Formula: C26H26Cl2N2O3 MolecularWeight: 485.40224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C(C1)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C(C1)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O

InChI

InChI=1S/C26H26Cl2N2O3/c1-2-3-4-11-33-21-8-9-22(25(31)32)26(14-21,19-6-10-23(27)24(28)13-19)30-20-7-5-17-15-29-16-18(17)12-20/h5-10,12-13,16,30H,2-4,11,14-15H2,1H3,(H,31,32)