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

Systemtic Name: 2-cyclohexylethanoic acid; N-(4-methanoylphenyl)butanamide; 2-phenylethanamine Openeye Name: 2-cyclohexylacetic acid; N-(4-formylphenyl)butanamide; 2-phenylethanamine CAS Name: 2-cyclohexylacetic acid; N-(4-formylphenyl)butanamide; 2-phenylethanamine IUPAC Name: 2-cyclohexylacetic acid; N-(4-formylphenyl)butanamide; 2-phenylethanamine Traditional Name: 2-cyclohexylacetic acid; N-(4-formylphenyl)butyramide; phenethylamine Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO2.C8H11N.C8H14O2/c1-2-3-11(14)12-10-6-4-9(8-13)5-7-10;9-7-6-8-4-2-1-3-5-8;9-8(10)6-7-4-2-1-3-5-7/h4-8H,2-3H2,1H3,(H,12,14);1-5H,6-7,9H2;7H,1-6H2,(H,9,10)