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

Systemtic Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-nonoxy-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-nonoxy-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-nonoxy-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-nonoxycyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-4-nonoxy-cyclohexa-1,3-diene-1-carboxylic acid Formula: C30H34Cl2N2O3 MolecularWeight: 541.50856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C(C1)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C(C1)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O

InChI

InChI=1S/C30H34Cl2N2O3/c1-2-3-4-5-6-7-8-15-37-25-12-13-26(29(35)36)30(18-25,23-10-14-27(31)28(32)17-23)34-24-11-9-21-19-33-20-22(21)16-24/h9-14,16-17,20,34H,2-8,15,18-19H2,1H3,(H,35,36)