1-cyclohexyl-2-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)-1H-quinolin-6-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)-1H-quinolin-6-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[(2E)-2-(2-oxo-1-naphthylidene)-1H-quinolin-6-yl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[(2E)-2-(2-oxo-1-naphthalenylidene)-1H-quinolin-6-yl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[(2E)-2-(2-oxonaphthalen-1-ylidene)-1H-quinolin-6-yl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[(2E)-2-(2-keto-1-naphthylidene)-1H-quinolin-6-yl]benzimidazole-5-carboxylic acid Formula: C33H27N3O3 MolecularWeight: 513.58578

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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(=O)C=CC7=CC=CC=C76)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(=O)C=CC7=CC=CC=C76)/C=C5

InChI

InChI=1S/C33H27N3O3/c37-30-17-13-20-6-4-5-9-25(20)31(30)27-15-10-21-18-22(11-14-26(21)34-27)32-35-28-19-23(33(38)39)12-16-29(28)36(32)24-7-2-1-3-8-24/h4-6,9-19,24,34H,1-3,7-8H2,(H,38,39)/b31-27+