3-(4-tert-butylphenoxy)-N-(phenylmethyl)propan-1-amine; ethanedioic acid

Systemtic Name: 3-(4-tert-butylphenoxy)-N-(phenylmethyl)propan-1-amine; ethanedioic acid Openeye Name: N-benzyl-3-(4-tert-butylphenoxy)propan-1-amine; oxalic acid CAS Name: 3-(4-tert-butylphenoxy)-N-(phenylmethyl)-1-propanamine; oxalic acid IUPAC Name: N-benzyl-3-(4-tert-butylphenoxy)propan-1-amine; oxalic acid Traditional Name: benzyl-[3-(4-tert-butylphenoxy)propyl]amine; oxalic acid Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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