2-[cyclohexylcarbonyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]amino]benzoic acid

Systemtic Name: 2-[cyclohexylcarbonyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]amino]benzoic acid Openeye Name: 2-[cyclohexanecarbonyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]amino]benzoic acid CAS Name: 2-[[cyclohexyl(oxo)methyl]-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]amino]benzoic acid IUPAC Name: 2-[cyclohexanecarbonyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]amino]benzoic acid Traditional Name: 2-[cyclohexanecarbonyl-[2-[4-(2-methoxyphenyl)piperazino]ethyl]amino]benzoic acid Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=C3C(=O)O)C(=O)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=C3C(=O)O)C(=O)C4CCCCC4

InChI

InChI=1S/C27H35N3O4/c1-34-25-14-8-7-13-24(25)29-18-15-28(16-19-29)17-20-30(26(31)21-9-3-2-4-10-21)23-12-6-5-11-22(23)27(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3,(H,32,33)