4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenyl-pyrrol-3-yl]benzoic acid

Systemtic Name: 4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenyl-pyrrol-3-yl]benzoic acid Openeye Name: 4-[2-(2-furyl)-1-(2-morpholinoethyl)-5-phenyl-pyrrol-3-yl]benzoic acid CAS Name: 4-[2-(2-furanyl)-1-[2-(4-morpholinyl)ethyl]-5-phenyl-3-pyrrolyl]benzoic acid IUPAC Name: 4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid Traditional Name: 4-[2-(2-furyl)-1-(2-morpholinoethyl)-5-phenyl-pyrrol-3-yl]benzoic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C(=CC(=C2C3=CC=CO3)C4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1CCN2C(=CC(=C2C3=CC=CO3)C4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O4/c30-27(31)22-10-8-20(9-11-22)23-19-24(21-5-2-1-3-6-21)29(26(23)25-7-4-16-33-25)13-12-28-14-17-32-18-15-28/h1-11,16,19H,12-15,17-18H2,(H,30,31)