(Z)-but-2-enedioic acid; 2-(butylamino)-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamide

Systemtic Name: (Z)-but-2-enedioic acid; 2-(butylamino)-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamide Openeye Name: 2-(butylamino)-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)acetamide; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-(butylamino)-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)acetamide IUPAC Name: (Z)-but-2-enedioic acid; 2-(butylamino)-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)acetamide Traditional Name: 2-(butylamino)-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)acetamide; maleic acid Formula: C26H33N3O5 MolecularWeight: 467.55732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(=O)NC1=CC=CC2=C1CN(CC2C3=CC=CC=C3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCNCC(=O)NC1=CC=CC2=C1CN(CC2C3=CC=CC=C3)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C22H29N3O.C4H4O4/c1-3-4-13-23-14-22(26)24-21-12-8-11-18-19(15-25(2)16-20(18)21)17-9-6-5-7-10-17;5-3(6)1-2-4(7)8/h5-12,19,23H,3-4,13-16H2,1-2H3,(H,24,26);1-2H,(H,5,6)(H,7,8)/b;2-1-