3-[(2-oxidanylidene-3,8-diazaspiro[4.5]decan-8-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[(2-oxidanylidene-3,8-diazaspiro[4.5]decan-8-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[(2-oxo-3,8-diazaspiro[4.5]decan-8-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[(2-oxo-3,8-diazaspiro[4.5]decan-8-yl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[(2-oxo-3,8-diazaspiro[4.5]decan-8-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(2-keto-3,8-diazaspiro[4.5]decan-8-yl)methyl]-2-phenyl-cinchoninic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CC(=O)NC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCC12CC(=O)NC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H25N3O3/c29-21-14-25(16-26-21)10-12-28(13-11-25)15-19-22(24(30)31)18-8-4-5-9-20(18)27-23(19)17-6-2-1-3-7-17/h1-9H,10-16H2,(H,26,29)(H,30,31)