O1-ethyl O4-[2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-(2-phenyl-1H-indol-3-yl)ethyl] ester Formula: C22H19NO5 MolecularWeight: 377.38996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H19NO5/c1-2-27-19(25)12-13-20(26)28-14-18(24)21-16-10-6-7-11-17(16)23-22(21)15-8-4-3-5-9-15/h3-13,23H,2,14H2,1H3/b13-12+