(E)-but-2-enedioic acid; 9-(butylamino)-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 9-(butylamino)-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol Openeye Name: 9-(butylamino)-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 9-(butylamino)-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol IUPAC Name: (E)-but-2-enedioic acid; 9-(butylamino)-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol Traditional Name: 9-(butylamino)-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol; fumaric acid Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C(CC(CC2=NC3=CC=CC=C31)(C)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCNC1=C2C(CC(CC2=NC3=CC=CC=C31)(C)C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H26N2O.C4H4O4/c1-4-5-10-20-18-13-8-6-7-9-14(13)21-15-11-19(2,3)12-16(22)17(15)18;5-3(6)1-2-4(7)8/h6-9,16,22H,4-5,10-12H2,1-3H3,(H,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+