3-(4-chloranyl-3,5-dimethyl-phenoxy)-N-methyl-N-(phenylmethyl)propan-1-amine; ethanedioic acid

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-phenoxy)-N-methyl-N-(phenylmethyl)propan-1-amine; ethanedioic acid Openeye Name: N-benzyl-3-(4-chloro-3,5-dimethyl-phenoxy)-N-methyl-propan-1-amine; oxalic acid CAS Name: 3-(4-chloro-3,5-dimethylphenoxy)-N-methyl-N-(phenylmethyl)-1-propanamine; oxalic acid IUPAC Name: N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine; oxalic acid Traditional Name: benzyl-[3-(4-chloro-3,5-dimethyl-phenoxy)propyl]-methyl-amine; oxalic acid Formula: C21H26ClNO5 MolecularWeight: 407.88784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCN(C)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCN(C)CC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24ClNO.C2H2O4/c1-15-12-18(13-16(2)19(15)20)22-11-7-10-21(3)14-17-8-5-4-6-9-17;3-1(4)2(5)6/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3;(H,3,4)(H,5,6)