ethyl (E)-3-cyano-2-oxidanyl-3-[1-(phenylmethyl)indol-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-cyano-2-oxidanyl-3-[1-(phenylmethyl)indol-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-(1-benzylindol-3-yl)-3-cyano-2-hydroxy-prop-2-enoate CAS Name: (E)-3-cyano-2-hydroxy-3-[1-(phenylmethyl)-3-indolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-benzylindol-3-yl)-3-cyano-2-hydroxyprop-2-enoate Traditional Name: (E)-3-(1-benzylindol-3-yl)-3-cyano-2-hydroxy-acrylic acid ethyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3/c1-2-26-21(25)20(24)17(12-22)18-14-23(13-15-8-4-3-5-9-15)19-11-7-6-10-16(18)19/h3-11,14,24H,2,13H2,1H3/b20-17-