1-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(2,5-dimethylanilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(2,5-dimethylanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(2,5-dimethylanilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CC2(CCCCCC2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C18H25NO3/c1-13-7-8-14(2)15(11-13)19-16(20)12-18(17(21)22)9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,20)(H,21,22)