4-(4-chloranyl-3-ethyl-phenoxy)-N-(phenylmethyl)butan-1-amine; ethanedioic acid

Systemtic Name: 4-(4-chloranyl-3-ethyl-phenoxy)-N-(phenylmethyl)butan-1-amine; ethanedioic acid Openeye Name: N-benzyl-4-(4-chloro-3-ethyl-phenoxy)butan-1-amine; oxalic acid CAS Name: 4-(4-chloro-3-ethylphenoxy)-N-(phenylmethyl)-1-butanamine; oxalic acid IUPAC Name: N-benzyl-4-(4-chloro-3-ethylphenoxy)butan-1-amine; oxalic acid Traditional Name: benzyl-[4-(4-chloro-3-ethyl-phenoxy)butyl]amine; oxalic acid Formula: C21H26ClNO5 MolecularWeight: 407.88784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCCCCNCC2=CC=CC=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)OCCCCNCC2=CC=CC=C2)Cl.C(=O)(C(=O)O)O

InChI

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