4-[[(1E)-1-(6-ethoxycarbonyl-2-oxidanylidene-1H-indol-3-ylidene)butyl]amino]benzoic acid

Systemtic Name: 4-[[(1E)-1-(6-ethoxycarbonyl-2-oxidanylidene-1H-indol-3-ylidene)butyl]amino]benzoic acid Openeye Name: 4-[[(1E)-1-(6-ethoxycarbonyl-2-oxo-indolin-3-ylidene)butyl]amino]benzoic acid CAS Name: 4-[[(1E)-1-(6-ethoxycarbonyl-2-oxo-1H-indol-3-ylidene)butyl]amino]benzoic acid IUPAC Name: 4-[[(1E)-1-(6-ethoxycarbonyl-2-oxo-1H-indol-3-ylidene)butyl]amino]benzoic acid Traditional Name: 4-[[(1E)-1-(6-carbethoxy-2-keto-indolin-3-ylidene)butyl]amino]benzoic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C2=C(C=C(C=C2)C(=O)OCC)NC1=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC/C(=C\1/C2=C(C=C(C=C2)C(=O)OCC)NC1=O)/NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H22N2O5/c1-3-5-17(23-15-9-6-13(7-10-15)21(26)27)19-16-11-8-14(22(28)29-4-2)12-18(16)24-20(19)25/h6-12,23H,3-5H2,1-2H3,(H,24,25)(H,26,27)/b19-17+