ethanedioic acid; 3-(5-methyl-2-propan-2-yl-phenoxy)-N-(phenylmethyl)propan-1-amine

Systemtic Name: ethanedioic acid; 3-(5-methyl-2-propan-2-yl-phenoxy)-N-(phenylmethyl)propan-1-amine Openeye Name: N-benzyl-3-(2-isopropyl-5-methyl-phenoxy)propan-1-amine; oxalic acid CAS Name: 3-(5-methyl-2-propan-2-ylphenoxy)-N-(phenylmethyl)-1-propanamine; oxalic acid IUPAC Name: N-benzyl-3-(5-methyl-2-propan-2-ylphenoxy)propan-1-amine; oxalic acid Traditional Name: benzyl-[3-(2-isopropyl-5-methyl-phenoxy)propyl]amine; oxalic acid Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCCNCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCCNCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27NO.C2H2O4/c1-16(2)19-11-10-17(3)14-20(19)22-13-7-12-21-15-18-8-5-4-6-9-18;3-1(4)2(5)6/h4-6,8-11,14,16,21H,7,12-13,15H2,1-3H3;(H,3,4)(H,5,6)