(E)-but-2-enedioic acid; 6-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]-3H-1,3-benzoxazol-2-one

Systemtic Name: (E)-but-2-enedioic acid; 6-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]-3H-1,3-benzoxazol-2-one Openeye Name: fumaric acid; 6-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-3H-1,3-benzoxazol-2-one CAS Name: (E)-2-butenedioic acid; 6-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-3H-1,3-benzoxazol-2-one IUPAC Name: (E)-but-2-enedioic acid; 6-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-3H-1,3-benzoxazol-2-one Traditional Name: fumaric acid; 6-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-3H-1,3-benzoxazol-2-one Formula: C23H26N2O7 MolecularWeight: 442.46174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NCC(C2=CC3=C(C=C2)NC(=O)O3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NCC(C2=CC3=C(C=C2)NC(=O)O3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H22N2O3.C4H4O4/c1-13(7-8-14-5-3-2-4-6-14)20-12-17(22)15-9-10-16-18(11-15)24-19(23)21-16;5-3(6)1-2-4(7)8/h2-6,9-11,13,17,20,22H,7-8,12H2,1H3,(H,21,23);1-2H,(H,5,6)(H,7,8)/b;2-1+