naphthalen-1-ylmethyl 4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: naphthalen-1-ylmethyl 4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 1-naphthylmethyl 4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]butyric acid 1-naphthylmethyl ester Formula: C31H28N2O4 MolecularWeight: 492.56502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)OCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CCC(=O)OCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C31H28N2O4/c1-36-26-16-14-24(15-17-26)29-20-28(23-9-3-2-4-10-23)32-33(29)30(34)18-19-31(35)37-21-25-12-7-11-22-8-5-6-13-27(22)25/h2-17,29H,18-21H2,1H3/t29-/m1/s1