[2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 2-oxidanylidene-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate

Systemtic Name: [2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 2-oxidanylidene-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate Openeye Name: [2-[1-(1-naphthyl)ethylamino]-2-oxo-ethyl] 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate CAS Name: 2-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)acetic acid [2-[1-(1-naphthalenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate Traditional Name: 2-keto-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid [2-keto-2-[1-(1-naphthyl)ethylamino]ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)C(=O)OCC(=O)NC(C)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)C(=O)OCC(=O)NC(C)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H23N3O4/c1-13(17-11-7-9-16-8-5-6-10-18(16)17)23-19(26)12-29-22(28)21(27)20-14(2)24-25(4)15(20)3/h5-11,13H,12H2,1-4H3,(H,23,26)