2-[[2-chloranyl-4-[2-[[(1R,2S)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethyl]phenyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-chloranyl-4-[2-[[(1R,2S)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethyl]phenyl]-methyl-amino]ethanoic acid Openeye Name: 2-[2-chloro-4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]-N-methyl-anilino]acetic acid CAS Name: 2-[2-chloro-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-N-methylanilino]acetic acid IUPAC Name: 2-[2-chloro-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-N-methylanilino]acetic acid Traditional Name: 2-[2-chloro-4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]-N-methyl-anilino]acetic acid Formula: C20H25ClN2O4 MolecularWeight: 392.8765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)NCCC2=CC(=C(C=C2)N(C)CC(=O)O)Cl

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=C(C=C1)O)O)NCCC2=CC(=C(C=C2)N(C)CC(=O)O)Cl

InChI

InChI=1S/C20H25ClN2O4/c1-13(20(27)15-4-6-16(24)7-5-15)22-10-9-14-3-8-18(17(21)11-14)23(2)12-19(25)26/h3-8,11,13,20,22,24,27H,9-10,12H2,1-2H3,(H,25,26)/t13-,20-/m0/s1