2-(6-phenylmethoxy-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-(6-phenylmethoxy-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoic acid Openeye Name: 2-(6-benzyloxy-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid CAS Name: 2-(6-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(6-phenylmethoxy-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid Traditional Name: 2-(6-benzoxy-1H-indol-3-yl)-2-[4-(2-pyrimidyl)piperazino]acetic acid Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(C3=CNC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(C3=CNC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H25N5O3/c31-24(32)23(29-11-13-30(14-12-29)25-26-9-4-10-27-25)21-16-28-22-15-19(7-8-20(21)22)33-17-18-5-2-1-3-6-18/h1-10,15-16,23,28H,11-14,17H2,(H,31,32)