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

Systemtic Name: (Z)-but-2-enedioic acid; 3-(butylamino)-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)propanamide Openeye Name: 3-(butylamino)-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)propanamide; maleic acid CAS Name: (Z)-2-butenedioic acid; 3-(butylamino)-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)propanamide IUPAC Name: (Z)-but-2-enedioic acid; 3-(butylamino)-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)propanamide Traditional Name: 3-(butylamino)-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)propionamide; maleic acid Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O.C4H4O4/c1-3-4-14-24-15-13-23(27)25-22-12-8-11-19-20(16-26(2)17-21(19)22)18-9-6-5-7-10-18;5-3(6)1-2-4(7)8/h5-12,20,24H,3-4,13-17H2,1-2H3,(H,25,27);1-2H,(H,5,6)(H,7,8)/b;2-1-