(E)-2-methylbut-2-enedioic acid; 3-phenyl-N-(phenylmethyl)-N-(3-piperidin-1-ylpropyl)-1,2-oxazol-5-amine

Systemtic Name: (E)-2-methylbut-2-enedioic acid; 3-phenyl-N-(phenylmethyl)-N-(3-piperidin-1-ylpropyl)-1,2-oxazol-5-amine Openeye Name: N-benzyl-3-phenyl-N-[3-(1-piperidyl)propyl]isoxazol-5-amine; (E)-2-methylbut-2-enedioic acid CAS Name: (E)-2-methyl-2-butenedioic acid; 3-phenyl-N-(phenylmethyl)-N-[3-(1-piperidinyl)propyl]-5-isoxazolamine IUPAC Name: N-benzyl-3-phenyl-N-(3-piperidin-1-ylpropyl)-1,2-oxazol-5-amine; (E)-2-methylbut-2-enedioic acid Traditional Name: benzyl-(3-phenylisoxazol-5-yl)-(3-piperidinopropyl)amine; mesaconic acid Formula: C29H35N3O5 MolecularWeight: 505.6053

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C(=O)O.C1CCN(CC1)CCCN(CC2=CC=CC=C2)C3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C/C(=C\C(=O)O)/C(=O)O.C1CCN(CC1)CCCN(CC2=CC=CC=C2)C3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O.C5H6O4/c1-4-11-21(12-5-1)20-27(18-10-17-26-15-8-3-9-16-26)24-19-23(25-28-24)22-13-6-2-7-14-22;1-3(5(8)9)2-4(6)7/h1-2,4-7,11-14,19H,3,8-10,15-18,20H2;2H,1H3,(H,6,7)(H,8,9)/b;3-2+