2-[4-phenyl-1-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]pyrrol-3-yl]propanoic acid

Systemtic Name: 2-[4-phenyl-1-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]pyrrol-3-yl]propanoic acid Openeye Name: 2-[4-phenyl-1-[[4-(3-thienylmethoxy)phenyl]methyl]pyrrol-3-yl]propanoic acid CAS Name: 2-[4-phenyl-1-[[4-(3-thiophenylmethoxy)phenyl]methyl]-3-pyrrolyl]propanoic acid IUPAC Name: 2-[4-phenyl-1-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]pyrrol-3-yl]propanoic acid Traditional Name: 2-[4-phenyl-1-[4-(3-thenyloxy)benzyl]pyrrol-3-yl]propionic acid Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C=C1C2=CC=CC=C2)CC3=CC=C(C=C3)OCC4=CSC=C4)C(=O)O

Isomeric SMILES

CC(C1=CN(C=C1C2=CC=CC=C2)CC3=CC=C(C=C3)OCC4=CSC=C4)C(=O)O

InChI

InChI=1S/C25H23NO3S/c1-18(25(27)28)23-14-26(15-24(23)21-5-3-2-4-6-21)13-19-7-9-22(10-8-19)29-16-20-11-12-30-17-20/h2-12,14-15,17-18H,13,16H2,1H3,(H,27,28)