(E)-but-2-enedioic acid; 1-butyl-3-[2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]urea

Systemtic Name: (E)-but-2-enedioic acid; 1-butyl-3-[2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]urea Openeye Name: 1-butyl-3-[2-methyl-4-(p-tolyl)-3,4-dihydro-1H-isoquinolin-8-yl]urea; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-butyl-3-[2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]urea IUPAC Name: (E)-but-2-enedioic acid; 1-butyl-3-[2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]urea Traditional Name: 1-butyl-3-[2-methyl-4-(p-tolyl)-3,4-dihydro-1H-isoquinolin-8-yl]urea; fumaric acid Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O.C4H4O4/c1-4-5-13-23-22(26)24-21-8-6-7-18-19(14-25(3)15-20(18)21)17-11-9-16(2)10-12-17;5-3(6)1-2-4(7)8/h6-12,19H,4-5,13-15H2,1-3H3,(H2,23,24,26);1-2H,(H,5,6)(H,7,8)/b;2-1+