cycloheptanamine; 4-(4-heptylphenyl)benzoic acid

Systemtic Name: cycloheptanamine; 4-(4-heptylphenyl)benzoic acid Openeye Name: cycloheptanamine; 4-(4-heptylphenyl)benzoic acid CAS Name: cycloheptanamine; 4-(4-heptylphenyl)benzoic acid IUPAC Name: cycloheptanamine; 4-(4-heptylphenyl)benzoic acid Traditional Name: cycloheptylamine; 4-(4-heptylphenyl)benzoic acid Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O.C1CCCC(CC1)N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O.C1CCCC(CC1)N

InChI

InChI=1S/C20H24O2.C7H15N/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22;8-7-5-3-1-2-4-6-7/h8-15H,2-7H2,1H3,(H,21,22);7H,1-6,8H2