2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylphenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylphenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[2-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4CCCCC4C(=O)O

InChI

InChI=1S/C26H31N3O5/c1-34-23-13-7-6-12-22(23)28-14-16-29(17-15-28)25(31)20-10-4-5-11-21(20)27-24(30)18-8-2-3-9-19(18)26(32)33/h4-7,10-13,18-19H,2-3,8-9,14-17H2,1H3,(H,27,30)(H,32,33)