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

Systemtic Name: 3-(4-chloranyl-2,3-dimethyl-phenoxy)-N-(phenylmethyl)propan-1-amine; ethanedioic acid Openeye Name: N-benzyl-3-(4-chloro-2,3-dimethyl-phenoxy)propan-1-amine; oxalic acid CAS Name: 3-(4-chloro-2,3-dimethylphenoxy)-N-(phenylmethyl)-1-propanamine; oxalic acid IUPAC Name: N-benzyl-3-(4-chloro-2,3-dimethylphenoxy)propan-1-amine; oxalic acid Traditional Name: benzyl-[3-(4-chloro-2,3-dimethyl-phenoxy)propyl]amine; oxalic acid Formula: C20H24ClNO5 MolecularWeight: 393.86126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Cl)OCCCNCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1C)Cl)OCCCNCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22ClNO.C2H2O4/c1-14-15(2)18(10-9-17(14)19)21-12-6-11-20-13-16-7-4-3-5-8-16;3-1(4)2(5)6/h3-5,7-10,20H,6,11-13H2,1-2H3;(H,3,4)(H,5,6)