4-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate

Systemtic Name: 4-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Openeye Name: 4-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(3-pyridylmethoxy)phenoxy]-4-(o-tolyl)butanoate CAS Name: 4-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(3-pyridinylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate IUPAC Name: 4-[2-(5-ethoxycarbonyl-1H-pyrazol-3-yl)-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Traditional Name: 4-[2-(5-carbethoxy-1H-pyrazol-3-yl)-5-(3-pyridylmethoxy)phenoxy]-4-(o-tolyl)butyrate Formula: C29H28N3O6- MolecularWeight: 514.54912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)OCC3=CN=CC=C3)OC(CCC(=O)[O-])C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)OCC3=CN=CC=C3)OC(CCC(=O)[O-])C4=CC=CC=C4C

InChI

InChI=1S/C29H29N3O6/c1-3-36-29(35)25-16-24(31-32-25)23-11-10-21(37-18-20-8-6-14-30-17-20)15-27(23)38-26(12-13-28(33)34)22-9-5-4-7-19(22)2/h4-11,14-17,26H,3,12-13,18H2,1-2H3,(H,31,32)(H,33,34)/p-1