2-[2-[[7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-6-(pyrimidin-4-yliminomethyl)-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid

Systemtic Name: 2-[2-[[7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-6-(pyrimidin-4-yliminomethyl)-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid Openeye Name: 2-[2-[[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-6-(pyrimidin-4-yliminomethyl)-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid CAS Name: 2-[2-[[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-6-(4-pyrimidinyliminomethyl)-1H-quinolin-4-yl]oxy]ethyl]-1-piperidinecarboxylic acid IUPAC Name: 2-[2-[[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-6-(pyrimidin-4-yliminomethyl)-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid Traditional Name: 2-[2-[[7-chloro-3-(3,5-dimethylphenyl)-2-keto-6-(4-pyrimidyliminomethyl)-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid Formula: C30H30ClN5O4 MolecularWeight: 560.0433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)C=NC4=NC=NC=C4)OCCC5CCCCN5C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)C=NC4=NC=NC=C4)OCCC5CCCCN5C(=O)O)C

InChI

InChI=1S/C30H30ClN5O4/c1-18-11-19(2)13-20(12-18)27-28(40-10-7-22-5-3-4-9-36(22)30(38)39)23-14-21(16-33-26-6-8-32-17-34-26)24(31)15-25(23)35-29(27)37/h6,8,11-17,22H,3-5,7,9-10H2,1-2H3,(H,35,37)(H,38,39)