ethanedioic acid; N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-N-(phenylmethyl)propanamide

Systemtic Name: ethanedioic acid; N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]propanamide; oxalic acid CAS Name: N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-N-(phenylmethyl)propanamide; oxalic acid IUPAC Name: N-benzyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]propanamide; oxalic acid Traditional Name: N-benzyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]propionamide; oxalic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1C2=CC=CC=C2CCN1C)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)N(CC1C2=CC=CC=C2CCN1C)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O.C2H2O4/c1-3-21(24)23(15-17-9-5-4-6-10-17)16-20-19-12-8-7-11-18(19)13-14-22(20)2;3-1(4)2(5)6/h4-12,20H,3,13-16H2,1-2H3;(H,3,4)(H,5,6)