2-[(2Z)-2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[(2Z)-2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[(2Z)-2-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[(2Z)-2-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-quinolin-6-yl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[(2Z)-2-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[(2Z)-2-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-1H-quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C29H24BrN3O3 MolecularWeight: 542.42316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)NC(=C6C=C(C=CC6=O)Br)C=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N/C(=C\6/C=C(C=CC6=O)Br)/C=C5

InChI

InChI=1S/C29H24BrN3O3/c30-20-9-13-27(34)22(16-20)24-11-6-17-14-18(7-10-23(17)31-24)28-32-25-15-19(29(35)36)8-12-26(25)33(28)21-4-2-1-3-5-21/h6-16,21,31H,1-5H2,(H,35,36)/b24-22-