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

Systemtic Name: ethanedioic acid; N-[(2-hexyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-N-phenyl-propanamide; hydrate Openeye Name: N-[(2-hexyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-N-phenyl-propanamide; oxalic acid; hydrate CAS Name: N-[(2-hexyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-N-phenylpropanamide; oxalic acid; hydrate IUPAC Name: N-[(2-hexyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-N-phenylpropanamide; oxalic acid; hydrate Traditional Name: N-[(2-hexyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-N-phenyl-propionamide; oxalic acid; hydrate Formula: C27H38N2O6 MolecularWeight: 486.60042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC2=CC=CC=C2C1CN(C3=CC=CC=C3)C(=O)CC.C(=O)(C(=O)O)O.O

Isomeric SMILES

CCCCCCN1CCC2=CC=CC=C2C1CN(C3=CC=CC=C3)C(=O)CC.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C25H34N2O.C2H2O4.H2O/c1-3-5-6-12-18-26-19-17-21-13-10-11-16-23(21)24(26)20-27(25(28)4-2)22-14-8-7-9-15-22;3-1(4)2(5)6;/h7-11,13-16,24H,3-6,12,17-20H2,1-2H3;(H,3,4)(H,5,6);1H2