ethyl (3E)-2-oxidanylidene-3-[1-[[4-(piperidin-1-ylmethyl)phenyl]amino]butylidene]-1H-indole-6-carboxylate

Systemtic Name: ethyl (3E)-2-oxidanylidene-3-[1-[[4-(piperidin-1-ylmethyl)phenyl]amino]butylidene]-1H-indole-6-carboxylate Openeye Name: ethyl (3E)-2-oxo-3-[1-[4-(1-piperidylmethyl)anilino]butylidene]indoline-6-carboxylate CAS Name: (3E)-2-oxo-3-[1-[4-(1-piperidinylmethyl)anilino]butylidene]-1H-indole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (3E)-2-oxo-3-[1-[4-(piperidin-1-ylmethyl)anilino]butylidene]-1H-indole-6-carboxylate Traditional Name: (3E)-2-keto-3-[1-[4-(piperidinomethyl)anilino]butylidene]indoline-6-carboxylic acid ethyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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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)CN4CCCCC4

Isomeric SMILES

CCC/C(=C\1/C2=C(C=C(C=C2)C(=O)OCC)NC1=O)/NC3=CC=C(C=C3)CN4CCCCC4

InChI

InChI=1S/C27H33N3O3/c1-3-8-23(28-21-12-9-19(10-13-21)18-30-15-6-5-7-16-30)25-22-14-11-20(27(32)33-4-2)17-24(22)29-26(25)31/h9-14,17,28H,3-8,15-16,18H2,1-2H3,(H,29,31)/b25-23+