ethyl (E)-3-[1-(phenylmethyl)indol-5-yl]but-2-enoate

Systemtic Name: ethyl (E)-3-[1-(phenylmethyl)indol-5-yl]but-2-enoate Openeye Name: ethyl (E)-3-(1-benzylindol-5-yl)but-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-5-indolyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-benzylindol-5-yl)but-2-enoate Traditional Name: (E)-3-(1-benzylindol-5-yl)but-2-enoic acid ethyl ester Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C(\C)/C1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21NO2/c1-3-24-21(23)13-16(2)18-9-10-20-19(14-18)11-12-22(20)15-17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3/b16-13+