(E)-but-2-enedioate; 3-phenyl-N-(phenylmethyl)-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine

Systemtic Name: (E)-but-2-enedioate; 3-phenyl-N-(phenylmethyl)-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine Openeye Name: N-benzyl-N-(1-methyl-3-pyrrolidin-1-yl-propyl)-3-phenyl-isoxazol-5-amine; (E)-but-2-enedioate CAS Name: (E)-2-butenedioate; 3-phenyl-N-(phenylmethyl)-N-[4-(1-pyrrolidinyl)butan-2-yl]-5-isoxazolamine IUPAC Name: N-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine; (E)-but-2-enedioate Traditional Name: benzyl-(1-methyl-3-pyrrolidino-propyl)-(3-phenylisoxazol-5-yl)amine fumarate Formula: C28H31N3O5-2 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCCC1)N(CC2=CC=CC=C2)C3=CC(=NO3)C4=CC=CC=C4.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(CCN1CCCC1)N(CC2=CC=CC=C2)C3=CC(=NO3)C4=CC=CC=C4.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C24H29N3O.C4H4O4/c1-20(14-17-26-15-8-9-16-26)27(19-21-10-4-2-5-11-21)24-18-23(25-28-24)22-12-6-3-7-13-22;5-3(6)1-2-4(7)8/h2-7,10-13,18,20H,8-9,14-17,19H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+