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

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl) 3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(4-phenylbutan-2-ylamino)propanoate Openeye Name: (2-ethoxy-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 (2-ethoxy-2-oxoethyl) ester IUPAC Name: (2-ethoxy-2-oxoethyl) 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-ethyl) ester Formula: C23H29NO7 MolecularWeight: 431.47886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO7/c1-3-30-20(27)14-31-23(29)21(22(28)17-11-12-18(25)19(26)13-17)24-15(2)9-10-16-7-5-4-6-8-16/h4-8,11-13,15,21-22,24-26,28H,3,9-10,14H2,1-2H3