4-(2-chloranyl-4,6-dimethyl-phenoxy)-N-(phenylmethyl)butan-1-amine; ethanedioic acid

Systemtic Name: 4-(2-chloranyl-4,6-dimethyl-phenoxy)-N-(phenylmethyl)butan-1-amine; ethanedioic acid Openeye Name: N-benzyl-4-(2-chloro-4,6-dimethyl-phenoxy)butan-1-amine; oxalic acid CAS Name: 4-(2-chloro-4,6-dimethylphenoxy)-N-(phenylmethyl)-1-butanamine; oxalic acid IUPAC Name: N-benzyl-4-(2-chloro-4,6-dimethylphenoxy)butan-1-amine; oxalic acid Traditional Name: benzyl-[4-(2-chloro-4,6-dimethyl-phenoxy)butyl]amine; oxalic acid Formula: C21H26ClNO5 MolecularWeight: 407.88784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OCCCCNCC2=CC=CC=C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCCCNCC2=CC=CC=C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24ClNO.C2H2O4/c1-15-12-16(2)19(18(20)13-15)22-11-7-6-10-21-14-17-8-4-3-5-9-17;3-1(4)2(5)6/h3-5,8-9,12-13,21H,6-7,10-11,14H2,1-2H3;(H,3,4)(H,5,6)