4-chloranylbenzoic acid; cyclohexanamine; N-(4-methanoylphenyl)ethanamide

Systemtic Name: 4-chloranylbenzoic acid; cyclohexanamine; N-(4-methanoylphenyl)ethanamide Openeye Name: 4-chlorobenzoic acid; cyclohexanamine; N-(4-formylphenyl)acetamide CAS Name: 4-chlorobenzoic acid; cyclohexanamine; N-(4-formylphenyl)acetamide IUPAC Name: 4-chlorobenzoic acid; cyclohexanamine; N-(4-formylphenyl)acetamide Traditional Name: 4-chlorobenzoic acid; cyclohexylamine; N-(4-formylphenyl)acetamide Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=O.C1CCC(CC1)N.C1=CC(=CC=C1C(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C=O.C1CCC(CC1)N.C1=CC(=CC=C1C(=O)O)Cl

InChI

InChI=1S/C9H9NO2.C7H5ClO2.C6H13N/c1-7(12)10-9-4-2-8(6-11)3-5-9;8-6-3-1-5(2-4-6)7(9)10;7-6-4-2-1-3-5-6/h2-6H,1H3,(H,10,12);1-4H,(H,9,10);6H,1-5,7H2