3-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propanoic acid CAS Name: 3-[[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propanoic acid Traditional Name: 3-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propionic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NCCC(=O)O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)NCCC(=O)O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H24N2O5/c1-27-17-12-15-9-11-23(21(26)22-10-8-19(24)25)20(14-6-4-3-5-7-14)16(15)13-18(17)28-2/h3-7,12-13,20H,8-11H2,1-2H3,(H,22,26)(H,24,25)