2-[3-[bis(2-methylpropyl)amino]-2-oxidanyl-propyl]-4-phenyl-isoquinolin-1-one; (E)-but-2-enedioic acid

Systemtic Name: 2-[3-[bis(2-methylpropyl)amino]-2-oxidanyl-propyl]-4-phenyl-isoquinolin-1-one; (E)-but-2-enedioic acid Openeye Name: 2-[3-(diisobutylamino)-2-hydroxy-propyl]-4-phenyl-isoquinolin-1-one; fumaric acid CAS Name: 2-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-4-phenyl-1-isoquinolinone; (E)-2-butenedioic acid IUPAC Name: 2-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-4-phenylisoquinolin-1-one; (E)-but-2-enedioic acid Traditional Name: 2-[3-(diisobutylamino)-2-hydroxy-propyl]-4-phenyl-isocarbostyril; fumaric acid Formula: C30H38N2O6 MolecularWeight: 522.63252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CN(CC(C)C)CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H34N2O2.C4H4O4/c1-19(2)14-27(15-20(3)4)16-22(29)17-28-18-25(21-10-6-5-7-11-21)23-12-8-9-13-24(23)26(28)30;5-3(6)1-2-4(7)8/h5-13,18-20,22,29H,14-17H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+