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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-2-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-2-[(3-ethoxy-4-hydroxy-phenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-2-(3-ethoxy-4-hydroxy-benzyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC3=CC=CC=C3CC2C(=O)N4CCC5=CC=CC=C5C4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC3=CC=CC=C3C[C@H]2C(=O)N4CCC5=CC=CC=C5C4)O

InChI

InChI=1S/C28H30N2O3/c1-2-33-27-15-20(11-12-26(27)31)17-30-19-24-10-6-4-8-22(24)16-25(30)28(32)29-14-13-21-7-3-5-9-23(21)18-29/h3-12,15,25,31H,2,13-14,16-19H2,1H3/t25-/m0/s1