1-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[1-[4-(1-imidazolyl)phenyl]ethylamino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CC3(CCCCCC3)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CC3(CCCCCC3)C(=O)O

InChI

InChI=1S/C21H27N3O3/c1-16(17-6-8-18(9-7-17)24-13-12-22-15-24)23-19(25)14-21(20(26)27)10-4-2-3-5-11-21/h6-9,12-13,15-16H,2-5,10-11,14H2,1H3,(H,23,25)(H,26,27)