methyl 3-[4-[[3,5-bis(oxidanyl)phenyl]carbonylamino]butanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[4-[[3,5-bis(oxidanyl)phenyl]carbonylamino]butanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[4-[(3,5-dihydroxybenzoyl)amino]butanoylamino]-4-methyl-benzoate CAS Name: 3-[[4-[[(3,5-dihydroxyphenyl)-oxomethyl]amino]-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-[(3,5-dihydroxybenzoyl)amino]butanoylamino]-4-methylbenzoate Traditional Name: 3-[4-[(3,5-dihydroxybenzoyl)amino]butanoylamino]-4-methyl-benzoic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCNC(=O)C2=CC(=CC(=C2)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCNC(=O)C2=CC(=CC(=C2)O)O

InChI

InChI=1S/C20H22N2O6/c1-12-5-6-13(20(27)28-2)10-17(12)22-18(25)4-3-7-21-19(26)14-8-15(23)11-16(24)9-14/h5-6,8-11,23-24H,3-4,7H2,1-2H3,(H,21,26)(H,22,25)