2-(3,4-dimethylphenyl)azepane; ethanedioic acid

Systemtic Name: 2-(3,4-dimethylphenyl)azepane; ethanedioic acid Openeye Name: 2-(3,4-dimethylphenyl)azepane; oxalic acid CAS Name: 2-(3,4-dimethylphenyl)azepane; oxalic acid IUPAC Name: 2-(3,4-dimethylphenyl)azepane; oxalic acid Traditional Name: 2-(3,4-dimethylphenyl)azepane; oxalic acid Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2CCCCCN2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2CCCCCN2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21N.C2H2O4/c1-11-7-8-13(10-12(11)2)14-6-4-3-5-9-15-14;3-1(4)2(5)6/h7-8,10,14-15H,3-6,9H2,1-2H3;(H,3,4)(H,5,6)