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

Systemtic Name: 4-(2-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Openeye Name: 4-(o-tolyl)-4-[2-(1H-pyrazol-5-yl)-5-(3-thienylmethoxy)phenoxy]butanoate CAS Name: 4-(2-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-5-(3-thiophenylmethoxy)phenoxy]butanoate IUPAC Name: 4-(2-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Traditional Name: 4-(o-tolyl)-4-[2-(1H-pyrazol-5-yl)-5-(3-thenyloxy)phenoxy]butyrate Formula: C25H23N2O4S- MolecularWeight: 447.52612

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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=CC=NN4

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=CC=NN4

InChI

InChI=1S/C25H24N2O4S/c1-17-4-2-3-5-20(17)23(8-9-25(28)29)31-24-14-19(30-15-18-11-13-32-16-18)6-7-21(24)22-10-12-26-27-22/h2-7,10-14,16,23H,8-9,15H2,1H3,(H,26,27)(H,28,29)/p-1