4-[(2S)-2-azanyl-3-(3,4-dihydro-1H-isochromen-1-yl)-4-oxidanyl-pentan-2-yl]phenol

Systemtic Name: 4-[(2S)-2-azanyl-3-(3,4-dihydro-1H-isochromen-1-yl)-4-oxidanyl-pentan-2-yl]phenol Openeye Name: 4-[(1S)-1-amino-3-hydroxy-2-isochroman-1-yl-1-methyl-butyl]phenol CAS Name: 4-[(2S)-2-amino-3-(3,4-dihydro-1H-2-benzopyran-1-yl)-4-hydroxypentan-2-yl]phenol IUPAC Name: 4-[(2S)-2-amino-3-(3,4-dihydro-1H-isochromen-1-yl)-4-hydroxypentan-2-yl]phenol Traditional Name: 4-[(1S)-1-amino-3-hydroxy-2-isochroman-1-yl-1-methyl-butyl]phenol Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1C2=CC=CC=C2CCO1)C(C)(C3=CC=C(C=C3)O)N)O

Isomeric SMILES

CC(C(C1C2=CC=CC=C2CCO1)[C@@](C)(C3=CC=C(C=C3)O)N)O

InChI

InChI=1S/C20H25NO3/c1-13(22)18(20(2,21)15-7-9-16(23)10-8-15)19-17-6-4-3-5-14(17)11-12-24-19/h3-10,13,18-19,22-23H,11-12,21H2,1-2H3/t13?,18?,19?,20-/m1/s1