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

Systemtic Name: (Z)-but-2-enedioic acid; 1-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-3-propyl-urea Openeye Name: maleic acid; 1-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-3-propyl-urea CAS Name: (Z)-2-butenedioic acid; 1-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-3-propylurea IUPAC Name: (Z)-but-2-enedioic acid; 1-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-3-propylurea Traditional Name: maleic acid; 1-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-3-propyl-urea Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O.C4H4O4/c1-3-12-21-20(24)22-19-11-7-10-16-17(13-23(2)14-18(16)19)15-8-5-4-6-9-15;5-3(6)1-2-4(7)8/h4-11,17H,3,12-14H2,1-2H3,(H2,21,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1-