2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(5-benzyloxy-1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazinyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazino]acetic acid Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H29N3O4/c1-34-22-9-5-8-21(16-22)30-12-14-31(15-13-30)27(28(32)33)25-18-29-26-11-10-23(17-24(25)26)35-19-20-6-3-2-4-7-20/h2-11,16-18,27,29H,12-15,19H2,1H3,(H,32,33)