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heptyl (E)-3-[2-ethyl-1-(phenylmethyl)indol-4-yl]prop-2-enoate

heptyl (E)-3-[2-ethyl-1-(phenylmethyl)indol-4-yl]prop-2-enoate

Systemtic Name:heptyl (E)-3-[2-ethyl-1-(phenylmethyl)indol-4-yl]prop-2-enoate
Openeye Name:heptyl (E)-3-(1-benzyl-2-ethyl-indol-4-yl)prop-2-enoate
CAS Name:(E)-3-[2-ethyl-1-(phenylmethyl)-4-indolyl]-2-propenoic acid heptyl ester
IUPAC Name:heptyl (E)-3-(1-benzyl-2-ethylindol-4-yl)prop-2-enoate
Traditional Name:(E)-3-(1-benzyl-2-ethyl-indol-4-yl)acrylic acid heptyl ester
Formula: C27H33NO2
MolecularWeight: 403.55642
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C=CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC=C3)CC


Isomeric SMILES

CCCCCCCOC(=O)/C=C/C1=C2C=C(N(C2=CC=C1)CC3=CC=CC=C3)CC


InChI

InChI=1S/C27H33NO2/c1-3-5-6-7-11-19-30-27(29)18-17-23-15-12-16-26-25(23)20-24(4-2)28(26)21-22-13-9-8-10-14-22/h8-10,12-18,20H,3-7,11,19,21H2,1-2H3/b18-17+


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