(Z)-but-2-enedioic acid; 2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine

Systemtic Name: (Z)-but-2-enedioic acid; 2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine Openeye Name: 4-(4-isopropylphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine IUPAC Name: (Z)-but-2-enedioic acid; 2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine Traditional Name: maleic acid; (2-methyl-4-p-cumenyl-3,4-dihydro-1H-isoquinolin-8-yl)amine Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2CN(CC3=C2C=CC=C3N)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2CN(CC3=C2C=CC=C3N)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C19H24N2.C4H4O4/c1-13(2)14-7-9-15(10-8-14)17-11-21(3)12-18-16(17)5-4-6-19(18)20;5-3(6)1-2-4(7)8/h4-10,13,17H,11-12,20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-