2-ethyl-1-[(1S)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[(1S)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 2-ethyl-1-[(1S)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one CAS Name: 2-ethyl-1-[(1S)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-butanone IUPAC Name: 2-ethyl-1-[(1S)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Traditional Name: 2-ethyl-1-[(1S)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C(CC)CC)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@@H]2C3=CC(=C(C=C3CCN2C(=O)C(CC)CC)OC)OC

InChI

InChI=1S/C26H35NO4/c1-6-18-9-11-21(12-10-18)31-17-23-22-16-25(30-5)24(29-4)15-20(22)13-14-27(23)26(28)19(7-2)8-3/h9-12,15-16,19,23H,6-8,13-14,17H2,1-5H3/t23-/m1/s1