3-(1,3-benzodioxol-5-yl)-4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyrazolyl]butanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butyric acid Formula: C26H30N4O6 MolecularWeight: 494.5396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(NC1)N=C(C=C2)CCOC3=CC(=NN3CCO)CC(CC(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=C(NC1)N=C(C=C2)CCOC3=CC(=NN3CCO)CC(CC(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H30N4O6/c31-10-9-30-24(34-11-7-20-5-3-17-2-1-8-27-26(17)28-20)15-21(29-30)12-19(14-25(32)33)18-4-6-22-23(13-18)36-16-35-22/h3-6,13,15,19,31H,1-2,7-12,14,16H2,(H,27,28)(H,32,33)