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

Systemtic Name: 3-[3-[1-[4-(2-cyanoethyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-5-methoxy-indol-1-yl]propanoic acid Openeye Name: 3-[3-[1-[4-(2-cyanoethyl)piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[1-[4-(2-cyanoethyl)-1-piperazinyl]-2-hydroxy-2-oxoethyl]-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[1-[4-(2-cyanoethyl)piperazin-1-yl]-2-hydroxy-2-oxoethyl]-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[1-[4-(2-cyanoethyl)piperazino]-2-hydroxy-2-keto-ethyl]-5-methoxy-indol-1-yl]propionic acid Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5/c1-30-15-3-4-18-16(13-15)17(14-25(18)8-5-19(26)27)20(21(28)29)24-11-9-23(10-12-24)7-2-6-22/h3-4,13-14,20H,2,5,7-12H2,1H3,(H,26,27)(H,28,29)