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

Systemtic Name: methyl (2E)-2-[(E)-3-cyano-4-oxidanylidene-4-(3-phenylpropoxy)but-2-enylidene]-1,3,3-trimethyl-indole-5-carboxylate Openeye Name: methyl (2E)-2-[(E)-3-cyano-4-oxo-4-(3-phenylpropoxy)but-2-enylidene]-1,3,3-trimethyl-indoline-5-carboxylate CAS Name: (2E)-2-[(E)-3-cyano-4-oxo-4-(3-phenylpropoxy)but-2-enylidene]-1,3,3-trimethyl-5-indolecarboxylic acid methyl ester IUPAC Name: methyl (2E)-2-[(E)-3-cyano-4-oxo-4-(3-phenylpropoxy)but-2-enylidene]-1,3,3-trimethylindole-5-carboxylate Traditional Name: (2E)-2-[(E)-3-cyano-4-keto-4-(3-phenylpropoxy)but-2-enylidene]-1,3,3-trimethyl-indoline-5-carboxylic acid methyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C(=O)OC)N(C1=CC=C(C#N)C(=O)OCCCC3=CC=CC=C3)C)C

Isomeric SMILES

CC\1(C2=C(C=CC(=C2)C(=O)OC)N(/C1=C/C=C(\C#N)/C(=O)OCCCC3=CC=CC=C3)C)C

InChI

InChI=1S/C27H28N2O4/c1-27(2)22-17-20(25(30)32-4)12-14-23(22)29(3)24(27)15-13-21(18-28)26(31)33-16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,17H,8,11,16H2,1-4H3/b21-13+,24-15+