(1-ethoxy-1-oxidanylidene-propan-2-yl) 3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(4-phenylbutan-2-ylamino)propanoate

Systemtic Name: (1-ethoxy-1-oxidanylidene-propan-2-yl) 3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(4-phenylbutan-2-ylamino)propanoate Openeye Name: (2-ethoxy-1-methyl-2-oxo-ethyl) 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]propanoate CAS Name: 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-(4-phenylbutan-2-ylamino)propanoic acid (1-ethoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-ethoxy-1-oxopropan-2-yl) 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-(4-phenylbutan-2-ylamino)propanoate Traditional Name: 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]propionic acid (2-ethoxy-2-keto-1-methyl-ethyl) ester Formula: C24H31NO7 MolecularWeight: 445.50544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC(=O)C(C(C1=CC(=C(C=C1)O)O)O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C)OC(=O)C(C(C1=CC(=C(C=C1)O)O)O)NC(C)CCC2=CC=CC=C2

InChI

InChI=1S/C24H31NO7/c1-4-31-23(29)16(3)32-24(30)21(22(28)18-12-13-19(26)20(27)14-18)25-15(2)10-11-17-8-6-5-7-9-17/h5-9,12-16,21-22,25-28H,4,10-11H2,1-3H3