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

Systemtic Name: ethanedioic acid; 3-(5-methyl-2-propan-2-yl-phenoxy)-N-phenethyl-propan-1-amine Openeye Name: 3-(2-isopropyl-5-methyl-phenoxy)-N-phenethyl-propan-1-amine; oxalic acid CAS Name: 3-(5-methyl-2-propan-2-ylphenoxy)-N-phenethyl-1-propanamine; oxalic acid IUPAC Name: 3-(5-methyl-2-propan-2-ylphenoxy)-N-phenethylpropan-1-amine; oxalic acid Traditional Name: 3-(2-isopropyl-5-methyl-phenoxy)propyl-phenethyl-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)OCCCNCCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCCNCCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29NO.C2H2O4/c1-17(2)20-11-10-18(3)16-21(20)23-15-7-13-22-14-12-19-8-5-4-6-9-19;3-1(4)2(5)6/h4-6,8-11,16-17,22H,7,12-15H2,1-3H3;(H,3,4)(H,5,6)