methyl (2E)-2-[(E)-3-cyano-4-oxidanylidene-4-(propylamino)but-2-enylidene]-1,3,3-trimethyl-indole-5-carboxylate

Systemtic Name: methyl (2E)-2-[(E)-3-cyano-4-oxidanylidene-4-(propylamino)but-2-enylidene]-1,3,3-trimethyl-indole-5-carboxylate Openeye Name: methyl (2E)-2-[(E)-3-cyano-4-oxo-4-(propylamino)but-2-enylidene]-1,3,3-trimethyl-indoline-5-carboxylate CAS Name: (2E)-2-[(E)-3-cyano-4-oxo-4-(propylamino)but-2-enylidene]-1,3,3-trimethyl-5-indolecarboxylic acid methyl ester IUPAC Name: methyl (2E)-2-[(E)-3-cyano-4-oxo-4-(propylamino)but-2-enylidene]-1,3,3-trimethylindole-5-carboxylate Traditional Name: (2E)-2-[(E)-3-cyano-4-keto-4-(propylamino)but-2-enylidene]-1,3,3-trimethyl-indoline-5-carboxylic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=CC=C1C(C2=C(N1C)C=CC(=C2)C(=O)OC)(C)C)C#N

Isomeric SMILES

CCCNC(=O)/C(=C/C=C/1\C(C2=C(N1C)C=CC(=C2)C(=O)OC)(C)C)/C#N

InChI

InChI=1S/C21H25N3O3/c1-6-11-23-19(25)15(13-22)8-10-18-21(2,3)16-12-14(20(26)27-5)7-9-17(16)24(18)4/h7-10,12H,6,11H2,1-5H3,(H,23,25)/b15-8+,18-10+