(4-chlorophenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate

Systemtic Name: (4-chlorophenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Openeye Name: (4-chlorophenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenoic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]acrylic acid (4-chlorobenzyl) ester Formula: C21H17ClN2O2 MolecularWeight: 364.82488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C=CC(=O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)/C=C/C(=O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O2/c22-18-9-6-16(7-10-18)15-26-21(25)11-8-17-14-24(13-3-12-23)20-5-2-1-4-19(17)20/h1-2,4-11,14H,3,13,15H2/b11-8+