2-[(4-tert-butylphenyl)methyl]azepane; ethanedioic acid

Systemtic Name: 2-[(4-tert-butylphenyl)methyl]azepane; ethanedioic acid Openeye Name: 2-[(4-tert-butylphenyl)methyl]azepane; oxalic acid CAS Name: 2-[(4-tert-butylphenyl)methyl]azepane; oxalic acid IUPAC Name: 2-[(4-tert-butylphenyl)methyl]azepane; oxalic acid Traditional Name: 2-(4-tert-butylbenzyl)azepane; oxalic acid Formula: C19H29NO4 MolecularWeight: 335.43786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC2CCCCCN2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC2CCCCCN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27N.C2H2O4/c1-17(2,3)15-10-8-14(9-11-15)13-16-7-5-4-6-12-18-16;3-1(4)2(5)6/h8-11,16,18H,4-7,12-13H2,1-3H3;(H,3,4)(H,5,6)