3-[(4-butoxyphenyl)carbamoyl]-1,2,2,3-tetramethyl-cyclopentane-1-carboxylic acid

Systemtic Name: 3-[(4-butoxyphenyl)carbamoyl]-1,2,2,3-tetramethyl-cyclopentane-1-carboxylic acid Openeye Name: 3-[(4-butoxyphenyl)carbamoyl]-1,2,2,3-tetramethyl-cyclopentanecarboxylic acid CAS Name: 3-[(4-butoxyanilino)-oxomethyl]-1,2,2,3-tetramethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-[(4-butoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid Traditional Name: 3-[(4-butoxyphenyl)carbamoyl]-1,2,2,3-tetramethyl-cyclopentanecarboxylic acid Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2(CCC(C2(C)C)(C)C(=O)O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2(CCC(C2(C)C)(C)C(=O)O)C

InChI

InChI=1S/C21H31NO4/c1-6-7-14-26-16-10-8-15(9-11-16)22-17(23)20(4)12-13-21(5,18(24)25)19(20,2)3/h8-11H,6-7,12-14H2,1-5H3,(H,22,23)(H,24,25)