(E)-but-2-enedioic acid; N-(4-methylpentyl)-4-piperidin-4-yloxy-aniline

Systemtic Name: (E)-but-2-enedioic acid; N-(4-methylpentyl)-4-piperidin-4-yloxy-aniline Openeye Name: fumaric acid; N-isohexyl-4-(4-piperidyloxy)aniline CAS Name: (E)-2-butenedioic acid; N-(4-methylpentyl)-4-(4-piperidinyloxy)aniline IUPAC Name: (E)-but-2-enedioic acid; N-(4-methylpentyl)-4-piperidin-4-yloxyaniline Traditional Name: fumaric acid; isohexyl-[4-(4-piperidyloxy)phenyl]amine Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC1=CC=C(C=C1)OC2CCNCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCCNC1=CC=C(C=C1)OC2CCNCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H28N2O.C4H4O4/c1-14(2)4-3-11-19-15-5-7-16(8-6-15)20-17-9-12-18-13-10-17;5-3(6)1-2-4(7)8/h5-8,14,17-19H,3-4,9-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+