6-[[2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[2-[4-(4-isopropylphenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[2-[oxo-[4-(4-propan-2-ylphenyl)-1-piperazinyl]methyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[2-[4-(4-propan-2-ylphenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[2-(4-p-cumenylpiperazine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4CC=CCC4C(=O)O

InChI

InChI=1S/C28H33N3O4/c1-19(2)20-11-13-21(14-12-20)30-15-17-31(18-16-30)27(33)24-9-5-6-10-25(24)29-26(32)22-7-3-4-8-23(22)28(34)35/h3-6,9-14,19,22-23H,7-8,15-18H2,1-2H3,(H,29,32)(H,34,35)