2-[2-(4-methoxyphenyl)-4-pyrrol-1-yl-3H-pyrazol-4-yl]ethanoic acid; morpholine

Systemtic Name: 2-[2-(4-methoxyphenyl)-4-pyrrol-1-yl-3H-pyrazol-4-yl]ethanoic acid; morpholine Openeye Name: 2-[2-(4-methoxyphenyl)-4-pyrrol-1-yl-3H-pyrazol-4-yl]acetic acid; morpholine CAS Name: 2-[2-(4-methoxyphenyl)-4-(1-pyrrolyl)-3H-pyrazol-4-yl]acetic acid; morpholine IUPAC Name: 2-[2-(4-methoxyphenyl)-4-pyrrol-1-yl-3H-pyrazol-4-yl]acetic acid; morpholine Traditional Name: 2-[1-(4-methoxyphenyl)-4-pyrrol-1-yl-2-pyrazolin-4-yl]acetic acid; morpholine Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(C=N2)(CC(=O)O)N3C=CC=C3.C1COCCN1

Isomeric SMILES

COC1=CC=C(C=C1)N2CC(C=N2)(CC(=O)O)N3C=CC=C3.C1COCCN1

InChI

InChI=1S/C16H17N3O3.C4H9NO/c1-22-14-6-4-13(5-7-14)19-12-16(11-17-19,10-15(20)21)18-8-2-3-9-18;1-3-6-4-2-5-1/h2-9,11H,10,12H2,1H3,(H,20,21);5H,1-4H2