2-[(1-propylindol-3-yl)methyl]propanedioate

Systemtic Name: 2-[(1-propylindol-3-yl)methyl]propanedioate Openeye Name: 2-[(1-propylindol-3-yl)methyl]propanedioate CAS Name: 2-[(1-propyl-3-indolyl)methyl]propanedioate IUPAC Name: 2-[(1-propylindol-3-yl)methyl]propanedioate Traditional Name: 2-[(1-propylindol-3-yl)methyl]malonate Formula: C15H15NO4-2 MolecularWeight: 273.2839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)CC(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)CC(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H17NO4/c1-2-7-16-9-10(8-12(14(17)18)15(19)20)11-5-3-4-6-13(11)16/h3-6,9,12H,2,7-8H2,1H3,(H,17,18)(H,19,20)/p-2