(2R)-2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid

Systemtic Name: (2R)-2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid Openeye Name: (2R)-2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid CAS Name: (2R)-2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid IUPAC Name: (2R)-2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid Traditional Name: (2R)-2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]propionic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=NC(CC2=CC(=C(C=C21)OC)OC)(C)C

Isomeric SMILES

C[C@H](C(=O)O)NC1=NC(CC2=CC(=C(C=C21)OC)OC)(C)C

InChI

InChI=1S/C16H22N2O4/c1-9(15(19)20)17-14-11-7-13(22-5)12(21-4)6-10(11)8-16(2,3)18-14/h6-7,9H,8H2,1-5H3,(H,17,18)(H,19,20)/t9-/m1/s1