ethyl 2-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]-3-indol-1-yl-propanoate

Systemtic Name: ethyl 2-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]-3-indol-1-yl-propanoate Openeye Name: ethyl 2-[3-(3,4-dihydroxyphenyl)propanoylamino]-3-indol-1-yl-propanoate CAS Name: 2-[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]-3-(1-indolyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(3,4-dihydroxyphenyl)propanoylamino]-3-indol-1-ylpropanoate Traditional Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]-3-indol-1-yl-propionic acid ethyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN1C=CC2=CC=CC=C21)NC(=O)CCC3=CC(=C(C=C3)O)O

Isomeric SMILES

CCOC(=O)C(CN1C=CC2=CC=CC=C21)NC(=O)CCC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C22H24N2O5/c1-2-29-22(28)17(14-24-12-11-16-5-3-4-6-18(16)24)23-21(27)10-8-15-7-9-19(25)20(26)13-15/h3-7,9,11-13,17,25-26H,2,8,10,14H2,1H3,(H,23,27)