(E)-but-2-enedioic acid; 2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one Openeye Name: 2-(cyclopentylamino)-1-(m-tolyl)propan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(cyclopentylamino)-1-(3-methylphenyl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one Traditional Name: 2-(cyclopentylamino)-1-(m-tolyl)propan-1-one; fumaric acid Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(C)NC2CCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C(C)NC2CCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H21NO.C4H4O4/c1-11-6-5-7-13(10-11)15(17)12(2)16-14-8-3-4-9-14;5-3(6)1-2-4(7)8/h5-7,10,12,14,16H,3-4,8-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+