methyl 2-[2-[(E)-hept-2-enoyl]-1H-indol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[(E)-hept-2-enoyl]-1H-indol-3-yl]ethanoate Openeye Name: methyl 2-[2-[(E)-hept-2-enoyl]-1H-indol-3-yl]acetate CAS Name: 2-[2-[(E)-1-oxohept-2-enyl]-1H-indol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(E)-hept-2-enoyl]-1H-indol-3-yl]acetate Traditional Name: 2-[2-[(E)-hept-2-enoyl]-1H-indol-3-yl]acetic acid methyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(=O)C1=C(C2=CC=CC=C2N1)CC(=O)OC

Isomeric SMILES

CCCC/C=C/C(=O)C1=C(C2=CC=CC=C2N1)CC(=O)OC

InChI

InChI=1S/C18H21NO3/c1-3-4-5-6-11-16(20)18-14(12-17(21)22-2)13-9-7-8-10-15(13)19-18/h6-11,19H,3-5,12H2,1-2H3/b11-6+