2-[4,4-bis(4-hydroxyphenyl)pentanoyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[4,4-bis(4-hydroxyphenyl)pentanoyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[4,4-bis(4-hydroxyphenyl)pentanoyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[[4,4-bis(4-hydroxyphenyl)-1-oxopentyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[4,4-bis(4-hydroxyphenyl)pentanoyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[4,4-bis(4-hydroxyphenyl)pentanoyl-(carboxymethyl)amino]acetic acid Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)N(CC(=O)O)CC(=O)O)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

Isomeric SMILES

CC(CCC(=O)N(CC(=O)O)CC(=O)O)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C21H23NO7/c1-21(14-2-6-16(23)7-3-14,15-4-8-17(24)9-5-15)11-10-18(25)22(12-19(26)27)13-20(28)29/h2-9,23-24H,10-13H2,1H3,(H,26,27)(H,28,29)