ethanedioic acid; 5-[(2S)-1-methylpyrrolidin-2-yl]-3-(phenylmethyl)-1,2-oxazole

Systemtic Name: ethanedioic acid; 5-[(2S)-1-methylpyrrolidin-2-yl]-3-(phenylmethyl)-1,2-oxazole Openeye Name: 3-benzyl-5-[(2S)-1-methylpyrrolidin-2-yl]isoxazole; oxalic acid CAS Name: 5-[(2S)-1-methyl-2-pyrrolidinyl]-3-(phenylmethyl)isoxazole; oxalic acid IUPAC Name: 3-benzyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole; oxalic acid Traditional Name: 3-benzyl-5-[(2S)-1-methylpyrrolidin-2-yl]isoxazole; oxalic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CC(=NO2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC[C@H]1C2=CC(=NO2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H18N2O.C2H2O4/c1-17-9-5-8-14(17)15-11-13(16-18-15)10-12-6-3-2-4-7-12;3-1(4)2(5)6/h2-4,6-7,11,14H,5,8-10H2,1H3;(H,3,4)(H,5,6)/t14-;/m0./s1