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

Systemtic Name: 2-(6-phenylmethoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-benzyloxy-1H-indol-3-yl)-2-(4-benzylpiperazin-1-yl)acetic acid CAS Name: 2-(6-phenylmethoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(6-benzoxy-1H-indol-3-yl)-2-(4-benzylpiperazino)acetic acid Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(C3=CNC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(C3=CNC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H29N3O3/c32-28(33)27(31-15-13-30(14-16-31)19-21-7-3-1-4-8-21)25-18-29-26-17-23(11-12-24(25)26)34-20-22-9-5-2-6-10-22/h1-12,17-18,27,29H,13-16,19-20H2,(H,32,33)