(E)-but-2-enedioic acid; 4-phenylbutan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 4-phenylbutan-2-amine Openeye Name: fumaric acid; 4-phenylbutan-2-amine CAS Name: (E)-2-butenedioic acid; 4-phenyl-2-butanamine IUPAC Name: (E)-but-2-enedioic acid; 4-phenylbutan-2-amine Traditional Name: fumaric acid; (1-methyl-3-phenyl-propyl)amine Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H15N.C4H4O4/c1-9(11)7-8-10-5-3-2-4-6-10;5-3(6)1-2-4(7)8/h2-6,9H,7-8,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+