quinolin-8-ylmethyl 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: quinolin-8-ylmethyl 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: 8-quinolylmethyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyric acid 8-quinolylmethyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H21N3O3/c27-21(26-15-13-20(25-26)17-6-2-1-3-7-17)11-12-22(28)29-16-19-9-4-8-18-10-5-14-24-23(18)19/h1-10,14H,11-13,15-16H2