ethyl (3E)-3-[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxidanylidene-3H-quinoxalin-5-ylidene]-4-oxidanylidene-4-pyrrolidin-1-yl-butanoate

Systemtic Name: ethyl (3E)-3-[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxidanylidene-3H-quinoxalin-5-ylidene]-4-oxidanylidene-4-pyrrolidin-1-yl-butanoate Openeye Name: ethyl (3E)-3-[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-3H-quinoxalin-5-ylidene]-4-oxo-4-pyrrolidin-1-yl-butanoate CAS Name: (3E)-3-[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-3H-quinoxalin-5-ylidene]-4-oxo-4-(1-pyrrolidinyl)butanoic acid ethyl ester IUPAC Name: ethyl (3E)-3-[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-3H-quinoxalin-5-ylidene]-4-oxo-4-pyrrolidin-1-ylbutanoate Traditional Name: (3E)-3-[3-(4-cyanobenzyl)-2-keto-1-methyl-3H-quinoxalin-5-ylidene]-4-keto-4-pyrrolidino-butyric acid ethyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=C1C=CC=C2C1=NC(C(=O)N2C)CC3=CC=C(C=C3)C#N)C(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C/C(=C\1/C=CC=C2C1=NC(C(=O)N2C)CC3=CC=C(C=C3)C#N)/C(=O)N4CCCC4

InChI

InChI=1S/C27H28N4O4/c1-3-35-24(32)16-21(26(33)31-13-4-5-14-31)20-7-6-8-23-25(20)29-22(27(34)30(23)2)15-18-9-11-19(17-28)12-10-18/h6-12,22H,3-5,13-16H2,1-2H3/b21-20+