1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenethylamino)ethanone; ethanedioic acid

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenethylamino)ethanone; ethanedioic acid Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenethylamino)ethanone; oxalic acid CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenethylamino)ethanone; oxalic acid IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenethylamino)ethanone; oxalic acid Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenethylamino)ethanone; oxalic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CNCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CNCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22N2O.C2H2O4/c22-19(14-20-12-10-16-6-2-1-3-7-16)21-13-11-17-8-4-5-9-18(17)15-21;3-1(4)2(5)6/h1-9,20H,10-15H2;(H,3,4)(H,5,6)