4-[(3S)-5-(4-ethylphenyl)-3-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-5-(4-ethylphenyl)-3-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(4-ethylphenyl)-3-(2-furyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(4-ethylphenyl)-3-(2-furanyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(4-ethylphenyl)-3-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3-(4-ethylphenyl)-5-(2-furyl)-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C19H19N2O4- MolecularWeight: 339.36516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCC(=O)[O-])C3=CC=CO3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)CCC(=O)[O-])C3=CC=CO3

InChI

InChI=1S/C19H20N2O4/c1-2-13-5-7-14(8-6-13)15-12-16(17-4-3-11-25-17)21(20-15)18(22)9-10-19(23)24/h3-8,11-12,16,20H,2,9-10H2,1H3,(H,23,24)/p-1/t16-/m0/s1