ethanedioic acid; methyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propanoate

Systemtic Name: ethanedioic acid; methyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propanoate Openeye Name: methyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propanoate; oxalic acid CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoic acid methyl ester; oxalic acid IUPAC Name: methyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoate; oxalic acid Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propionic acid methyl ester; oxalic acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC2=CC=CC=C2C1)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CN1CCC2=CC=CC=C2C1)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19NO2.C2H2O4/c1-11(14(16)17-2)9-15-8-7-12-5-3-4-6-13(12)10-15;3-1(4)2(5)6/h3-6,11H,7-10H2,1-2H3;(H,3,4)(H,5,6)