2-[(4-butan-2-ylphenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid

Systemtic Name: 2-[(4-butan-2-ylphenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid Openeye Name: 2-[(4-sec-butylphenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid CAS Name: 2-[(4-butan-2-ylanilino)-oxomethyl]-3-bicyclo[2.2.2]oct-5-enecarboxylic acid IUPAC Name: 2-[(4-butan-2-ylphenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid Traditional Name: 2-[(4-sec-butylphenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)C=C3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)C=C3

InChI

InChI=1S/C20H25NO3/c1-3-12(2)13-8-10-16(11-9-13)21-19(22)17-14-4-6-15(7-5-14)18(17)20(23)24/h4,6,8-12,14-15,17-18H,3,5,7H2,1-2H3,(H,21,22)(H,23,24)