2-[3-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-2-cyano-3-keto-3-(propylamino)prop-1-enyl]indol-1-yl]acetic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=CC1=CN(C2=CC=CC=C21)CC(=O)O)C#N

Isomeric SMILES

CCCNC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CC(=O)O)/C#N

InChI

InChI=1S/C17H17N3O3/c1-2-7-19-17(23)12(9-18)8-13-10-20(11-16(21)22)15-6-4-3-5-14(13)15/h3-6,8,10H,2,7,11H2,1H3,(H,19,23)(H,21,22)/b12-8+