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

Systemtic Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-octoxy-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-octoxy-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-octoxy-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-octoxycyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-octoxy-cyclohexa-1,3-diene-1-carboxylic acid Formula: C29H32Cl2N2O3 MolecularWeight: 527.48198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C(C1)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C(C1)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O

InChI

InChI=1S/C29H32Cl2N2O3/c1-2-3-4-5-6-7-14-36-24-11-12-25(28(34)35)29(17-24,22-9-13-26(30)27(31)16-22)33-23-10-8-20-18-32-19-21(20)15-23/h8-13,15-16,19,33H,2-7,14,17-18H2,1H3,(H,34,35)