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

Systemtic Name: propan-2-yl 3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(4-phenylbutan-2-ylamino)propanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-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 isopropyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5/c1-14(2)28-22(27)20(21(26)17-11-12-18(24)19(25)13-17)23-15(3)9-10-16-7-5-4-6-8-16/h4-8,11-15,20-21,23-26H,9-10H2,1-3H3