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

Systemtic Name: ethanedioic acid; N-methyl-3-(5-methyl-2-propan-2-yl-phenoxy)-N-(phenylmethyl)propan-1-amine Openeye Name: N-benzyl-3-(2-isopropyl-5-methyl-phenoxy)-N-methyl-propan-1-amine; oxalic acid CAS Name: N-methyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(phenylmethyl)-1-propanamine; oxalic acid IUPAC Name: N-benzyl-N-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propan-1-amine; oxalic acid Traditional Name: benzyl-[3-(2-isopropyl-5-methyl-phenoxy)propyl]-methyl-amine; oxalic acid Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCCN(C)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCCN(C)CC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29NO.C2H2O4/c1-17(2)20-12-11-18(3)15-21(20)23-14-8-13-22(4)16-19-9-6-5-7-10-19;3-1(4)2(5)6/h5-7,9-12,15,17H,8,13-14,16H2,1-4H3;(H,3,4)(H,5,6)