2-[[3-acetyloxypropyl-[3,4-bis(oxidanyl)phenyl]carbonyl-carbamoyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[3-acetyloxypropyl-[3,4-bis(oxidanyl)phenyl]carbonyl-carbamoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[3-acetoxypropyl-(3,4-dihydroxybenzoyl)carbamoyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[[3-acetyloxypropyl-[(3,4-dihydroxyphenyl)-oxomethyl]amino]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[3-acetyloxypropyl-(3,4-dihydroxybenzoyl)carbamoyl]amino]-2-phenylacetic acid Traditional Name: 2-[[3-acetoxypropyl(protocatechuoyl)carbamoyl]amino]-2-phenyl-acetic acid Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCN(C(=O)C1=CC(=C(C=C1)O)O)C(=O)NC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)OCCCN(C(=O)C1=CC(=C(C=C1)O)O)C(=O)NC(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H22N2O8/c1-13(24)31-11-5-10-23(19(27)15-8-9-16(25)17(26)12-15)21(30)22-18(20(28)29)14-6-3-2-4-7-14/h2-4,6-9,12,18,25-26H,5,10-11H2,1H3,(H,22,30)(H,28,29)