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

Systemtic Name: 2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(5-benzyloxy-1H-indol-3-yl)-2-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazinyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-[4-[2-(dimethylamino)-2-keto-ethyl]piperazino]acetic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN(C)C(=O)CN1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H30N4O4/c1-27(2)23(30)16-28-10-12-29(13-11-28)24(25(31)32)21-15-26-22-9-8-19(14-20(21)22)33-17-18-6-4-3-5-7-18/h3-9,14-15,24,26H,10-13,16-17H2,1-2H3,(H,31,32)