cyclohexanamine; N-(4-methanoylphenyl)ethanamide; 2-phenylethanoic acid

Systemtic Name: cyclohexanamine; N-(4-methanoylphenyl)ethanamide; 2-phenylethanoic acid Openeye Name: cyclohexanamine; N-(4-formylphenyl)acetamide; 2-phenylacetic acid CAS Name: cyclohexanamine; N-(4-formylphenyl)acetamide; 2-phenylacetic acid IUPAC Name: cyclohexanamine; N-(4-formylphenyl)acetamide; 2-phenylacetic acid Traditional Name: cyclohexylamine; N-(4-formylphenyl)acetamide; 2-phenylacetic acid Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO2.C8H8O2.C6H13N/c1-7(12)10-9-4-2-8(6-11)3-5-9;9-8(10)6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h2-6H,1H3,(H,10,12);1-5H,6H2,(H,9,10);6H,1-5,7H2