4-[[3-[1-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1H-indol-5-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[1-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1H-indol-5-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[1-(4-ethoxycarbonylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-1H-indol-5-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[1-(4-ethoxycarbonyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-1H-indol-5-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-[1-(4-ethoxycarbonylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-1H-indol-5-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-[1-(4-carbethoxypiperazino)-2-hydroxy-2-keto-ethyl]-1H-indol-5-yl]amino]-4-keto-butyric acid Formula: C21H26N4O7 MolecularWeight: 446.45374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H26N4O7/c1-2-32-21(31)25-9-7-24(8-10-25)19(20(29)30)15-12-22-16-4-3-13(11-14(15)16)23-17(26)5-6-18(27)28/h3-4,11-12,19,22H,2,5-10H2,1H3,(H,23,26)(H,27,28)(H,29,30)