4-[(4-azanylcyclohexyl)methyl]cyclohexan-1-amine; benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[(4-azanylcyclohexyl)methyl]cyclohexan-1-amine; benzene-1,3-dicarboxylic acid Openeye Name: 4-[(4-aminocyclohexyl)methyl]cyclohexanamine; isophthalic acid CAS Name: 4-[(4-aminocyclohexyl)methyl]-1-cyclohexanamine; benzene-1,3-dicarboxylic acid IUPAC Name: 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine; benzene-1,3-dicarboxylic acid Traditional Name: [4-[(4-aminocyclohexyl)methyl]cyclohexyl]amine; isophthalic acid Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CC2CCC(CC2)N)N.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CCC1CC2CCC(CC2)N)N.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C13H26N2.C8H6O4/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;9-7(10)5-2-1-3-6(4-5)8(11)12/h10-13H,1-9,14-15H2;1-4H,(H,9,10)(H,11,12)