3-[3-[1-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-5-methoxy-indol-1-yl]propanoic acid

Systemtic Name: 3-[3-[1-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-5-methoxy-indol-1-yl]propanoic acid Openeye Name: 3-[3-[1-[4-(3-cyano-2-pyridyl)piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[1-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-2-hydroxy-2-oxoethyl]-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[1-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-hydroxy-2-oxoethyl]-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[1-[4-(3-cyano-2-pyridyl)piperazino]-2-hydroxy-2-keto-ethyl]-5-methoxy-indol-1-yl]propionic acid Formula: C24H25N5O5 MolecularWeight: 463.4858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)C4=C(C=CC=N4)C#N)CCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)C4=C(C=CC=N4)C#N)CCC(=O)O

InChI

InChI=1S/C24H25N5O5/c1-34-17-4-5-20-18(13-17)19(15-29(20)8-6-21(30)31)22(24(32)33)27-9-11-28(12-10-27)23-16(14-25)3-2-7-26-23/h2-5,7,13,15,22H,6,8-12H2,1H3,(H,30,31)(H,32,33)