2-[bis(2-hydroxyethyl)amino]ethanol; 2-(3-oxidanylidene-3-phenyl-propanoyl)benzoic acid

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(3-oxidanylidene-3-phenyl-propanoyl)benzoic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(3-oxo-3-phenyl-propanoyl)benzoic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(1,3-dioxo-3-phenylpropyl)benzoic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(3-oxo-3-phenylpropanoyl)benzoic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(3-keto-3-phenyl-propanoyl)benzoic acid Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2C(=O)O.C(CO)N(CCO)CCO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2C(=O)O.C(CO)N(CCO)CCO

InChI

InChI=1S/C16H12O4.C6H15NO3/c17-14(11-6-2-1-3-7-11)10-15(18)12-8-4-5-9-13(12)16(19)20;8-4-1-7(2-5-9)3-6-10/h1-9H,10H2,(H,19,20);8-10H,1-6H2