diethyl 2-[(E)-3-(1H-indol-2-yl)prop-2-enyl]propanedioate

Systemtic Name: diethyl 2-[(E)-3-(1H-indol-2-yl)prop-2-enyl]propanedioate Openeye Name: diethyl 2-[(E)-3-(1H-indol-2-yl)allyl]propanedioate CAS Name: 2-[(E)-3-(1H-indol-2-yl)prop-2-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-3-(1H-indol-2-yl)prop-2-enyl]propanedioate Traditional Name: 2-[(E)-3-(1H-indol-2-yl)allyl]malonic acid diethyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CC1=CC2=CC=CC=C2N1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C/C=C/C1=CC2=CC=CC=C2N1)C(=O)OCC

InChI

InChI=1S/C18H21NO4/c1-3-22-17(20)15(18(21)23-4-2)10-7-9-14-12-13-8-5-6-11-16(13)19-14/h5-9,11-12,15,19H,3-4,10H2,1-2H3/b9-7+