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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=CC=CC=C2N1CCCC(=O)[O-])C3=CC(=C(C=C3)O)O

Isomeric SMILES

CC(=O)C1=C(C2=CC=CC=C2N1CCCC(=O)[O-])C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C20H19NO5/c1-12(22)20-19(13-8-9-16(23)17(24)11-13)14-5-2-3-6-15(14)21(20)10-4-7-18(25)26/h2-3,5-6,8-9,11,23-24H,4,7,10H2,1H3,(H,25,26)/p-1