4-[5-chloranyl-1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(trifluoromethyl)quinazolin-2-yl]indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-chloranyl-1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(trifluoromethyl)quinazolin-2-yl]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-chloro-1-[4-[4-(hydroxymethyl)-1-piperidyl]-6-(trifluoromethyl)quinazolin-2-yl]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-chloro-1-[4-[4-(hydroxymethyl)-1-piperidinyl]-6-(trifluoromethyl)-2-quinazolinyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-chloro-1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(trifluoromethyl)quinazolin-2-yl]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-chloro-1-[4-(4-methylolpiperidino)-6-(trifluoromethyl)quinazolin-2-yl]indol-3-yl]-4-keto-butyric acid Formula: C27H24ClF3N4O4 MolecularWeight: 560.95207

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)C2=NC(=NC3=C2C=C(C=C3)C(F)(F)F)N4C=C(C5=C4C=CC(=C5)Cl)C(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCC1CO)C2=NC(=NC3=C2C=C(C=C3)C(F)(F)F)N4C=C(C5=C4C=CC(=C5)Cl)C(=O)CCC(=O)O

InChI

InChI=1S/C27H24ClF3N4O4/c28-17-2-4-22-18(12-17)20(23(37)5-6-24(38)39)13-35(22)26-32-21-3-1-16(27(29,30)31)11-19(21)25(33-26)34-9-7-15(14-36)8-10-34/h1-4,11-13,15,36H,5-10,14H2,(H,38,39)