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

Systemtic Name: 2-[4-(2-morpholin-4-yl-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-morpholino-2-oxo-ethyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(2-morpholin-4-yl-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-keto-2-morpholino-ethyl)piperazino]acetic acid Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2CCOCC2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(=O)N2CCOCC2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H32N4O5/c32-25(30-12-14-35-15-13-30)18-29-8-10-31(11-9-29)26(27(33)34)23-17-28-24-7-6-21(16-22(23)24)36-19-20-4-2-1-3-5-20/h1-7,16-17,26,28H,8-15,18-19H2,(H,33,34)