2-[2-[2-[3,4-bis(oxidanyl)phenyl]ethanoyl]indol-1-yl]butanoate

Systemtic Name: 2-[2-[2-[3,4-bis(oxidanyl)phenyl]ethanoyl]indol-1-yl]butanoate Openeye Name: 2-[2-[2-(3,4-dihydroxyphenyl)acetyl]indol-1-yl]butanoate CAS Name: 2-[2-[2-(3,4-dihydroxyphenyl)-1-oxoethyl]-1-indolyl]butanoate IUPAC Name: 2-[2-[2-(3,4-dihydroxyphenyl)acetyl]indol-1-yl]butanoate Traditional Name: 2-[2-[2-(3,4-dihydroxyphenyl)acetyl]indol-1-yl]butyrate Formula: C20H18NO5- MolecularWeight: 352.36062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=CC=CC=C2C=C1C(=O)CC3=CC(=C(C=C3)O)O

Isomeric SMILES

CCC(C(=O)[O-])N1C2=CC=CC=C2C=C1C(=O)CC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C20H19NO5/c1-2-14(20(25)26)21-15-6-4-3-5-13(15)11-16(21)18(23)9-12-7-8-17(22)19(24)10-12/h3-8,10-11,14,22,24H,2,9H2,1H3,(H,25,26)/p-1