4-[(4-azanyl-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexan-1-amine; benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[(4-azanyl-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexan-1-amine; benzene-1,3-dicarboxylic acid Openeye Name: 4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexanamine; isophthalic acid CAS Name: 4-[(4-amino-3-methylcyclohexyl)methyl]-2-methyl-1-cyclohexanamine; benzene-1,3-dicarboxylic acid IUPAC Name: 4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine; benzene-1,3-dicarboxylic acid Traditional Name: [4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]amine; isophthalic acid Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1N)CC2CCC(C(C2)C)N.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC1CC(CCC1N)CC2CCC(C(C2)C)N.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C15H30N2.C8H6O4/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;9-7(10)5-2-1-3-6(4-5)8(11)12/h10-15H,3-9,16-17H2,1-2H3;1-4H,(H,9,10)(H,11,12)