cyclohexanamine; 2-cyclohexylethanoic acid; N-(4-methanoylphenyl)butanamide

Systemtic Name: cyclohexanamine; 2-cyclohexylethanoic acid; N-(4-methanoylphenyl)butanamide Openeye Name: cyclohexanamine; 2-cyclohexylacetic acid; N-(4-formylphenyl)butanamide CAS Name: cyclohexanamine; 2-cyclohexylacetic acid; N-(4-formylphenyl)butanamide IUPAC Name: cyclohexanamine; 2-cyclohexylacetic acid; N-(4-formylphenyl)butanamide Traditional Name: 2-cyclohexylacetic acid; cyclohexylamine; N-(4-formylphenyl)butyramide Formula: C25H40N2O4 MolecularWeight: 432.5961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C=O.C1CCC(CC1)CC(=O)O.C1CCC(CC1)N

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C=O.C1CCC(CC1)CC(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C11H13NO2.C8H14O2.C6H13N/c1-2-3-11(14)12-10-6-4-9(8-13)5-7-10;9-8(10)6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h4-8H,2-3H2,1H3,(H,12,14);7H,1-6H2,(H,9,10);6H,1-5,7H2