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

Systemtic Name: 4-(2-methylphenyl)-4-[2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Openeye Name: 4-(o-tolyl)-4-[2-[5-(2-pyridyl)-1H-pyrazol-3-yl]-5-(3-thienylmethoxy)phenoxy]butanoate CAS Name: 4-(2-methylphenyl)-4-[2-[5-(2-pyridinyl)-1H-pyrazol-3-yl]-5-(3-thiophenylmethoxy)phenoxy]butanoate IUPAC Name: 4-(2-methylphenyl)-4-[2-(5-pyridin-2-yl-1H-pyrazol-3-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Traditional Name: 4-(o-tolyl)-4-[2-[5-(2-pyridyl)-1H-pyrazol-3-yl]-5-(3-thenyloxy)phenoxy]butyrate Formula: C30H26N3O4S- MolecularWeight: 524.61014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NNC(=C4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NNC(=C4)C5=CC=CC=N5

InChI

InChI=1S/C30H27N3O4S/c1-20-6-2-3-7-23(20)28(11-12-30(34)35)37-29-16-22(36-18-21-13-15-38-19-21)9-10-24(29)26-17-27(33-32-26)25-8-4-5-14-31-25/h2-10,13-17,19,28H,11-12,18H2,1H3,(H,32,33)(H,34,35)/p-1