(E)-but-2-enedioic acid; 1-[(2-methyl-4-phenyl-butan-2-yl)amino]-3-pyridin-2-yloxy-propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-[(2-methyl-4-phenyl-butan-2-yl)amino]-3-pyridin-2-yloxy-propan-2-ol Openeye Name: 1-[(1,1-dimethyl-3-phenyl-propyl)amino]-3-(2-pyridyloxy)propan-2-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-(2-pyridinyloxy)-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-2-yloxypropan-2-ol Traditional Name: 1-[(1,1-dimethyl-3-phenyl-propyl)amino]-3-(2-pyridyloxy)propan-2-ol; fumaric acid Formula: C23H30N2O6 MolecularWeight: 430.4941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=CC=C1)NCC(COC2=CC=CC=N2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(CCC1=CC=CC=C1)NCC(COC2=CC=CC=N2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H26N2O2.C4H4O4/c1-19(2,12-11-16-8-4-3-5-9-16)21-14-17(22)15-23-18-10-6-7-13-20-18;5-3(6)1-2-4(7)8/h3-10,13,17,21-22H,11-12,14-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+