2-bromanyl-6-methoxy-4-[(1-phenylpropan-2-ylamino)methyl]phenol; (Z)-but-2-enedioic acid

Systemtic Name: 2-bromanyl-6-methoxy-4-[(1-phenylpropan-2-ylamino)methyl]phenol; (Z)-but-2-enedioic acid Openeye Name: 2-bromo-6-methoxy-4-[[(1-methyl-2-phenyl-ethyl)amino]methyl]phenol; maleic acid CAS Name: 2-bromo-6-methoxy-4-[(1-phenylpropan-2-ylamino)methyl]phenol; (Z)-2-butenedioic acid IUPAC Name: 2-bromo-6-methoxy-4-[(1-phenylpropan-2-ylamino)methyl]phenol; (Z)-but-2-enedioic acid Traditional Name: 2-bromo-6-methoxy-4-[[(1-methyl-2-phenyl-ethyl)amino]methyl]phenol; maleic acid Formula: C21H24BrNO6 MolecularWeight: 466.32236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CC1=CC=CC=C1)NCC2=CC(=C(C(=C2)Br)O)OC.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C17H20BrNO2.C4H4O4/c1-12(8-13-6-4-3-5-7-13)19-11-14-9-15(18)17(20)16(10-14)21-2;5-3(6)1-2-4(7)8/h3-7,9-10,12,19-20H,8,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-