(E)-but-2-enedioic acid; 2-[2-[methyl-[2-[(2-methylphenyl)-phenyl-methoxy]ethyl]amino]ethyl]guanidine

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-[methyl-[2-[(2-methylphenyl)-phenyl-methoxy]ethyl]amino]ethyl]guanidine Openeye Name: fumaric acid; 2-[2-[methyl-[2-[o-tolyl(phenyl)methoxy]ethyl]amino]ethyl]guanidine CAS Name: (E)-2-butenedioic acid; 2-[2-[methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]amino]ethyl]guanidine IUPAC Name: (E)-but-2-enedioic acid; 2-[2-[methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]amino]ethyl]guanidine Traditional Name: fumaric acid; 2-[2-[methyl-[2-[o-tolyl(phenyl)methoxy]ethyl]amino]ethyl]guanidine Formula: C24H32N4O5 MolecularWeight: 456.53468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)CCN=C(N)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)CCN=C(N)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H28N4O.C4H4O4/c1-16-8-6-7-11-18(16)19(17-9-4-3-5-10-17)25-15-14-24(2)13-12-23-20(21)22;5-3(6)1-2-4(7)8/h3-11,19H,12-15H2,1-2H3,(H4,21,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1+