3-[3,4-bis(oxidanyl)phenyl]-2-[(3-bromophenyl)methylamino]-2-methyl-propanoic acid

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-2-[(3-bromophenyl)methylamino]-2-methyl-propanoic acid Openeye Name: 2-[(3-bromophenyl)methylamino]-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid CAS Name: 2-[(3-bromophenyl)methylamino]-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid IUPAC Name: 2-[(3-bromophenyl)methylamino]-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid Traditional Name: 2-[(3-bromobenzyl)amino]-3-(3,4-dihydroxyphenyl)-2-methyl-propionic acid Formula: C17H18BrNO4 MolecularWeight: 380.23312

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NCC2=CC(=CC=C2)Br

Isomeric SMILES

CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NCC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H18BrNO4/c1-17(16(22)23,9-11-5-6-14(20)15(21)8-11)19-10-12-3-2-4-13(18)7-12/h2-8,19-21H,9-10H2,1H3,(H,22,23)