2-chloranyl-4-[(2,5-dimethyl-1-quinolin-6-yl-pyrrol-3-yl)methylideneamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[(2,5-dimethyl-1-quinolin-6-yl-pyrrol-3-yl)methylideneamino]benzoic acid Openeye Name: 2-chloro-4-[[2,5-dimethyl-1-(6-quinolyl)pyrrol-3-yl]methyleneamino]benzoic acid CAS Name: 2-chloro-4-[[2,5-dimethyl-1-(6-quinolinyl)-3-pyrrolyl]methylideneamino]benzoic acid IUPAC Name: 2-chloro-4-[(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)methylideneamino]benzoic acid Traditional Name: 2-chloro-4-[[2,5-dimethyl-1-(6-quinolyl)pyrrol-3-yl]methyleneamino]benzoic acid Formula: C23H18ClN3O2 MolecularWeight: 403.86092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)N=CC=C3)C)C=NC4=CC(=C(C=C4)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)N=CC=C3)C)C=NC4=CC(=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C23H18ClN3O2/c1-14-10-17(13-26-18-5-7-20(23(28)29)21(24)12-18)15(2)27(14)19-6-8-22-16(11-19)4-3-9-25-22/h3-13H,1-2H3,(H,28,29)