(E)-4-oxidanylidene-4-[[3-(2-oxidanyl-2-oxidanylidene-1-piperidin-1-yl-ethyl)-1H-indol-5-yl]amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[[3-(2-oxidanyl-2-oxidanylidene-1-piperidin-1-yl-ethyl)-1H-indol-5-yl]amino]but-2-enoic acid Openeye Name: (E)-4-[[3-[2-hydroxy-2-oxo-1-(1-piperidyl)ethyl]-1H-indol-5-yl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-[2-hydroxy-2-oxo-1-(1-piperidinyl)ethyl]-1H-indol-5-yl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[3-(2-hydroxy-2-oxo-1-piperidin-1-ylethyl)-1H-indol-5-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[3-(2-hydroxy-2-keto-1-piperidino-ethyl)-1H-indol-5-yl]amino]-4-keto-but-2-enoic acid Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)C=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)/C=C/C(=O)O)C(=O)O

InChI

InChI=1S/C19H21N3O5/c23-16(6-7-17(24)25)21-12-4-5-15-13(10-12)14(11-20-15)18(19(26)27)22-8-2-1-3-9-22/h4-7,10-11,18,20H,1-3,8-9H2,(H,21,23)(H,24,25)(H,26,27)/b7-6+