4-(4-chloranyl-2,3-dimethyl-phenoxy)-N-methyl-N-(phenylmethyl)butan-1-amine; ethanedioic acid

Systemtic Name: 4-(4-chloranyl-2,3-dimethyl-phenoxy)-N-methyl-N-(phenylmethyl)butan-1-amine; ethanedioic acid Openeye Name: N-benzyl-4-(4-chloro-2,3-dimethyl-phenoxy)-N-methyl-butan-1-amine; oxalic acid CAS Name: 4-(4-chloro-2,3-dimethylphenoxy)-N-methyl-N-(phenylmethyl)-1-butanamine; oxalic acid IUPAC Name: N-benzyl-4-(4-chloro-2,3-dimethylphenoxy)-N-methylbutan-1-amine; oxalic acid Traditional Name: benzyl-[4-(4-chloro-2,3-dimethyl-phenoxy)butyl]-methyl-amine; oxalic acid Formula: C22H28ClNO5 MolecularWeight: 421.91442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Cl)OCCCCN(C)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1C)Cl)OCCCCN(C)CC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26ClNO.C2H2O4/c1-16-17(2)20(12-11-19(16)21)23-14-8-7-13-22(3)15-18-9-5-4-6-10-18;3-1(4)2(5)6/h4-6,9-12H,7-8,13-15H2,1-3H3;(H,3,4)(H,5,6)