4-[2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol Openeye Name: 4-[2-[[(1S)-3-(4-hydroxyphenyl)-1-methyl-propyl]amino]ethyl]benzene-1,2-diol CAS Name: 4-[2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol IUPAC Name: 4-[2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol Traditional Name: 4-[2-[[(1S)-3-(4-hydroxyphenyl)-1-methyl-propyl]amino]ethyl]pyrocatechol Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3/t13-/m0/s1