ethanedioic acid; 3-methyl-5-[1-methyl-4-(phenylmethyl)pyrrolidin-2-yl]-1,2-oxazole

Systemtic Name: ethanedioic acid; 3-methyl-5-[1-methyl-4-(phenylmethyl)pyrrolidin-2-yl]-1,2-oxazole Openeye Name: 5-(4-benzyl-1-methyl-pyrrolidin-2-yl)-3-methyl-isoxazole; oxalic acid CAS Name: 3-methyl-5-[1-methyl-4-(phenylmethyl)-2-pyrrolidinyl]isoxazole; oxalic acid IUPAC Name: 5-(4-benzyl-1-methylpyrrolidin-2-yl)-3-methyl-1,2-oxazole; oxalic acid Traditional Name: 5-(4-benzyl-1-methyl-pyrrolidin-2-yl)-3-methyl-isoxazole; oxalic acid Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2CC(CN2C)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NOC(=C1)C2CC(CN2C)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H20N2O.C2H2O4/c1-12-8-16(19-17-12)15-10-14(11-18(15)2)9-13-6-4-3-5-7-13;3-1(4)2(5)6/h3-8,14-15H,9-11H2,1-2H3;(H,3,4)(H,5,6)