3-[[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]propanoate

Systemtic Name: 3-[[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]propanoate Openeye Name: 3-[[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propanoate CAS Name: 3-[[[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]propanoate IUPAC Name: 3-[[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propanoate Traditional Name: 3-[[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propionate Formula: C22H25N2O6- MolecularWeight: 413.4437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2C(=O)NCCC(=O)[O-])OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C3=CC(=C(C=C3CCN2C(=O)NCCC(=O)[O-])OC)OC

InChI

InChI=1S/C22H26N2O6/c1-28-16-6-4-14(5-7-16)21-17-13-19(30-3)18(29-2)12-15(17)9-11-24(21)22(27)23-10-8-20(25)26/h4-7,12-13,21H,8-11H2,1-3H3,(H,23,27)(H,25,26)/p-1/t21-/m0/s1