2-oxidanylidene-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]-1H-quinoline-4-carboxylic acid

Systemtic Name: 2-oxidanylidene-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]-1H-quinoline-4-carboxylic acid Openeye Name: 2-oxo-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]-1H-quinoline-4-carboxylic acid CAS Name: 2-oxo-3-[4-[(2-propyl-1-benzimidazolyl)methyl]phenyl]-1H-quinoline-4-carboxylic acid IUPAC Name: 2-oxo-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]-1H-quinoline-4-carboxylic acid Traditional Name: 2-keto-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]-1H-quinoline-4-carboxylic acid Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=C(C5=CC=CC=C5NC4=O)C(=O)O

Isomeric SMILES

CCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=C(C5=CC=CC=C5NC4=O)C(=O)O

InChI

InChI=1S/C27H23N3O3/c1-2-7-23-28-21-10-5-6-11-22(21)30(23)16-17-12-14-18(15-13-17)24-25(27(32)33)19-8-3-4-9-20(19)29-26(24)31/h3-6,8-15H,2,7,16H2,1H3,(H,29,31)(H,32,33)