heptanamide; 2-methyl-4-propan-2-yl-benzoic acid

Systemtic Name: heptanamide; 2-methyl-4-propan-2-yl-benzoic acid Openeye Name: heptanamide; 4-isopropyl-2-methyl-benzoic acid CAS Name: heptanamide; 2-methyl-4-propan-2-ylbenzoic acid IUPAC Name: heptanamide; 2-methyl-4-propan-2-ylbenzoic acid Traditional Name: enanthamide; 4-isopropyl-2-methyl-benzoic acid Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N.CC1=C(C=CC(=C1)C(C)C)C(=O)O

Isomeric SMILES

CCCCCCC(=O)N.CC1=C(C=CC(=C1)C(C)C)C(=O)O

InChI

InChI=1S/C11H14O2.C7H15NO/c1-7(2)9-4-5-10(11(12)13)8(3)6-9;1-2-3-4-5-6-7(8)9/h4-7H,1-3H3,(H,12,13);2-6H2,1H3,(H2,8,9)