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

Systemtic Name: (Z)-but-2-enedioic acid; 1-butyl-3-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)urea Openeye Name: 1-butyl-3-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)urea; maleic acid CAS Name: (Z)-2-butenedioic acid; 1-butyl-3-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)urea IUPAC Name: (Z)-but-2-enedioic acid; 1-butyl-3-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)urea Traditional Name: 1-butyl-3-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)urea; maleic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O.C4H4O4/c1-3-4-13-22-21(25)23-20-12-8-11-17-18(14-24(2)15-19(17)20)16-9-6-5-7-10-16;5-3(6)1-2-4(7)8/h5-12,18H,3-4,13-15H2,1-2H3,(H2,22,23,25);1-2H,(H,5,6)(H,7,8)/b;2-1-