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

Systemtic Name: octyl (E)-2-cyano-3-[1-(phenylmethyl)indol-3-yl]prop-2-enoate Openeye Name: octyl (E)-3-(1-benzylindol-3-yl)-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(phenylmethyl)-3-indolyl]-2-propenoic acid octyl ester IUPAC Name: octyl (E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-benzylindol-3-yl)-2-cyano-acrylic acid octyl ester Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(=CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O2/c1-2-3-4-5-6-12-17-31-27(30)23(19-28)18-24-21-29(20-22-13-8-7-9-14-22)26-16-11-10-15-25(24)26/h7-11,13-16,18,21H,2-6,12,17,20H2,1H3/b23-18+