1-[3-azanyl-8-chloranyl-1-cyclopropyl-6-fluoranyl-2,4-bis(oxidanylidene)quinazolin-7-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-azanyl-8-chloranyl-1-cyclopropyl-6-fluoranyl-2,4-bis(oxidanylidene)quinazolin-7-yl]piperidine-3-carboxylic acid Openeye Name: 1-(3-amino-8-chloro-1-cyclopropyl-6-fluoro-2,4-dioxo-quinazolin-7-yl)piperidine-3-carboxylic acid CAS Name: 1-(3-amino-8-chloro-1-cyclopropyl-6-fluoro-2,4-dioxo-7-quinazolinyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(3-amino-8-chloro-1-cyclopropyl-6-fluoro-2,4-dioxoquinazolin-7-yl)piperidine-3-carboxylic acid Traditional Name: 1-(3-amino-8-chloro-1-cyclopropyl-6-fluoro-2,4-diketo-quinazolin-7-yl)nipecotic acid Formula: C17H18ClFN4O4 MolecularWeight: 396.800623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C3C(=C2Cl)N(C(=O)N(C3=O)N)C4CC4)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=C(C=C3C(=C2Cl)N(C(=O)N(C3=O)N)C4CC4)F)C(=O)O

InChI

InChI=1S/C17H18ClFN4O4/c18-12-13-10(15(24)23(20)17(27)22(13)9-3-4-9)6-11(19)14(12)21-5-1-2-8(7-21)16(25)26/h6,8-9H,1-5,7,20H2,(H,25,26)