4-(4-cyclohexylpiperazin-1-yl)-3-[(4-methoxyphenyl)carbonylamino]benzoic acid

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-methoxyphenyl)carbonylamino]benzoic acid Openeye Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-methoxybenzoyl)amino]benzoic acid CAS Name: 4-(4-cyclohexyl-1-piperazinyl)-3-[[(4-methoxyphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-methoxybenzoyl)amino]benzoic acid Traditional Name: 4-(4-cyclohexylpiperazino)-3-(p-anisoylamino)benzoic acid Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C25H31N3O4/c1-32-21-10-7-18(8-11-21)24(29)26-22-17-19(25(30)31)9-12-23(22)28-15-13-27(14-16-28)20-5-3-2-4-6-20/h7-12,17,20H,2-6,13-16H2,1H3,(H,26,29)(H,30,31)