(3S)-2-(2,2-dimethylpropanoyl)-6,7-dimethoxy-3-methyl-1,4-dihydroisoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-(2,2-dimethylpropanoyl)-6,7-dimethoxy-3-methyl-1,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: (3S)-2-(2,2-dimethylpropanoyl)-6,7-dimethoxy-3-methyl-1,4-dihydroisoquinoline-3-carboxylic acid CAS Name: (3S)-2-(2,2-dimethyl-1-oxopropyl)-6,7-dimethoxy-3-methyl-1,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-(2,2-dimethylpropanoyl)-6,7-dimethoxy-3-methyl-1,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: (3S)-6,7-dimethoxy-3-methyl-2-pivaloyl-1,4-dihydroisoquinoline-3-carboxylic acid Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2CN1C(=O)C(C)(C)C)OC)OC)C(=O)O

Isomeric SMILES

C[C@]1(CC2=CC(=C(C=C2CN1C(=O)C(C)(C)C)OC)OC)C(=O)O

InChI

InChI=1S/C18H25NO5/c1-17(2,3)15(20)19-10-12-8-14(24-6)13(23-5)7-11(12)9-18(19,4)16(21)22/h7-8H,9-10H2,1-6H3,(H,21,22)/t18-/m0/s1