(2E)-2-[[1-(phenylmethyl)indol-3-yl]methylidene]butanoate

Systemtic Name: (2E)-2-[[1-(phenylmethyl)indol-3-yl]methylidene]butanoate Openeye Name: (2E)-2-[(1-benzylindol-3-yl)methylene]butanoate CAS Name: (2E)-2-[[1-(phenylmethyl)-3-indolyl]methylidene]butanoate IUPAC Name: (2E)-2-[(1-benzylindol-3-yl)methylidene]butanoate Traditional Name: (E)-3-(1-benzylindol-3-yl)-2-ethyl-acrylate Formula: C20H18NO2- MolecularWeight: 304.36242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC/C(=C\C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)/C(=O)[O-]

InChI

InChI=1S/C20H19NO2/c1-2-16(20(22)23)12-17-14-21(13-15-8-4-3-5-9-15)19-11-7-6-10-18(17)19/h3-12,14H,2,13H2,1H3,(H,22,23)/p-1/b16-12+