2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(6-benzyloxy-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(6-benzoxy-1H-indol-3-yl)-2-[4-(2-furoyl)piperazino]acetic acid Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O)C(=O)C5=CC=CO5

InChI

InChI=1S/C26H25N3O5/c30-25(23-7-4-14-33-23)29-12-10-28(11-13-29)24(26(31)32)21-16-27-22-15-19(8-9-20(21)22)34-17-18-5-2-1-3-6-18/h1-9,14-16,24,27H,10-13,17H2,(H,31,32)