2-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylbicyclo[2.2.2]oct-5-ene-3-carboxylic acid

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylbicyclo[2.2.2]oct-5-ene-3-carboxylic acid Openeye Name: 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid CAS Name: 2-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]-3-bicyclo[2.2.2]oct-5-enecarboxylic acid IUPAC Name: 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid Traditional Name: 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3C4CCC(C3C(=O)O)C=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3C4CCC(C3C(=O)O)C=C4

InChI

InChI=1S/C21H26N2O4/c1-27-17-4-2-3-16(13-17)22-9-11-23(12-10-22)20(24)18-14-5-7-15(8-6-14)19(18)21(25)26/h2-5,7,13-15,18-19H,6,8-12H2,1H3,(H,25,26)