ethyl 4-[3-[3,4-bis(oxidanyl)phenyl]carbonylindol-1-yl]butanoate

Systemtic Name: ethyl 4-[3-[3,4-bis(oxidanyl)phenyl]carbonylindol-1-yl]butanoate Openeye Name: ethyl 4-[3-(3,4-dihydroxybenzoyl)indol-1-yl]butanoate CAS Name: 4-[3-[(3,4-dihydroxyphenyl)-oxomethyl]-1-indolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,4-dihydroxybenzoyl)indol-1-yl]butanoate Traditional Name: 4-(3-protocatechuoylindol-1-yl)butyric acid ethyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CCOC(=O)CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C21H21NO5/c1-2-27-20(25)8-5-11-22-13-16(15-6-3-4-7-17(15)22)21(26)14-9-10-18(23)19(24)12-14/h3-4,6-7,9-10,12-13,23-24H,2,5,8,11H2,1H3