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

Systemtic Name: 2-methylpropyl 3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(4-phenylbutan-2-ylamino)propanoate Openeye Name: isobutyl 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-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5/c1-15(2)14-29-23(28)21(22(27)18-11-12-19(25)20(26)13-18)24-16(3)9-10-17-7-5-4-6-8-17/h4-8,11-13,15-16,21-22,24-27H,9-10,14H2,1-3H3