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

Systemtic Name: (Z)-but-2-enedioic acid; 1-ethyl-3-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)urea Openeye Name: 1-ethyl-3-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)urea; maleic acid CAS Name: (Z)-2-butenedioic acid; 1-ethyl-3-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)urea IUPAC Name: (Z)-but-2-enedioic acid; 1-ethyl-3-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)urea Traditional Name: 1-ethyl-3-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)urea; maleic acid Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O.C4H4O4/c1-3-20-19(23)21-18-11-7-10-15-16(12-22(2)13-17(15)18)14-8-5-4-6-9-14;5-3(6)1-2-4(7)8/h4-11,16H,3,12-13H2,1-2H3,(H2,20,21,23);1-2H,(H,5,6)(H,7,8)/b;2-1-