[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methyl-3-oxidanyl-phenyl)methanone

Systemtic Name: [(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methyl-3-oxidanyl-phenyl)methanone Openeye Name: [(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-hydroxy-4-methyl-phenyl)methanone CAS Name: [(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-hydroxy-4-methylphenyl)methanone IUPAC Name: [(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-hydroxy-4-methylphenyl)methanone Traditional Name: (3-hydroxy-4-methyl-phenyl)-[(3S)-3-methylol-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2CO)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3C[C@H]2CO)O

InChI

InChI=1S/C18H19NO3/c1-12-6-7-14(9-17(12)21)18(22)19-10-15-5-3-2-4-13(15)8-16(19)11-20/h2-7,9,16,20-21H,8,10-11H2,1H3/t16-/m0/s1