methyl 3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(4-phenylbutan-2-ylamino)propanoate

Systemtic Name: methyl 3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(4-phenylbutan-2-ylamino)propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(C(C2=CC(=C(C=C2)O)O)O)C(=O)OC

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(C(C2=CC(=C(C=C2)O)O)O)C(=O)OC

InChI

InChI=1S/C20H25NO5/c1-13(8-9-14-6-4-3-5-7-14)21-18(20(25)26-2)19(24)15-10-11-16(22)17(23)12-15/h3-7,10-13,18-19,21-24H,8-9H2,1-2H3