1-[2-[(4-benzamido-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(4-benzamido-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(4-benzamido-2,5-dimethoxy-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(4-benzamido-2,5-dimethoxy-anilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CC3(CCCCCC3)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CC3(CCCCCC3)C(=O)O

InChI

InChI=1S/C25H30N2O6/c1-32-20-15-19(27-23(29)17-10-6-5-7-11-17)21(33-2)14-18(20)26-22(28)16-25(24(30)31)12-8-3-4-9-13-25/h5-7,10-11,14-15H,3-4,8-9,12-13,16H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)