ethyl (E)-4-oxidanyl-2-oxidanylidene-4-[1-(phenylmethyl)indol-3-yl]but-3-enoate

Systemtic Name: ethyl (E)-4-oxidanyl-2-oxidanylidene-4-[1-(phenylmethyl)indol-3-yl]but-3-enoate Openeye Name: ethyl (E)-4-(1-benzylindol-3-yl)-4-hydroxy-2-oxo-but-3-enoate CAS Name: (E)-4-hydroxy-2-oxo-4-[1-(phenylmethyl)-3-indolyl]-3-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-(1-benzylindol-3-yl)-4-hydroxy-2-oxobut-3-enoate Traditional Name: (E)-4-(1-benzylindol-3-yl)-4-hydroxy-2-keto-but-3-enoic acid ethyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C=C(C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C(=O)/C=C(\C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)/O

InChI

InChI=1S/C21H19NO4/c1-2-26-21(25)20(24)12-19(23)17-14-22(13-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-12,14,23H,2,13H2,1H3/b19-12+