ethanedioic acid; 4-(2-methoxy-4-methyl-phenoxy)-N-(phenylmethyl)butan-1-amine

Systemtic Name: ethanedioic acid; 4-(2-methoxy-4-methyl-phenoxy)-N-(phenylmethyl)butan-1-amine Openeye Name: N-benzyl-4-(2-methoxy-4-methyl-phenoxy)butan-1-amine; oxalic acid CAS Name: 4-(2-methoxy-4-methylphenoxy)-N-(phenylmethyl)-1-butanamine; oxalic acid IUPAC Name: N-benzyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine; oxalic acid Traditional Name: benzyl-[4-(2-methoxy-4-methyl-phenoxy)butyl]amine; oxalic acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO2.C2H2O4/c1-16-10-11-18(19(14-16)21-2)22-13-7-6-12-20-15-17-8-4-3-5-9-17;3-1(4)2(5)6/h3-5,8-11,14,20H,6-7,12-13,15H2,1-2H3;(H,3,4)(H,5,6)