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

Systemtic Name: 3-[(4-butylphenyl)carbamoyl]-1,2,2,3-tetramethyl-cyclopentane-1-carboxylic acid Openeye Name: 3-[(4-butylphenyl)carbamoyl]-1,2,2,3-tetramethyl-cyclopentanecarboxylic acid CAS Name: 3-[(4-butylanilino)-oxomethyl]-1,2,2,3-tetramethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-[(4-butylphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid Traditional Name: 3-[(4-butylphenyl)carbamoyl]-1,2,2,3-tetramethyl-cyclopentanecarboxylic acid Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2(CCC(C2(C)C)(C)C(=O)O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2(CCC(C2(C)C)(C)C(=O)O)C

InChI

InChI=1S/C21H31NO3/c1-6-7-8-15-9-11-16(12-10-15)22-17(23)20(4)13-14-21(5,18(24)25)19(20,2)3/h9-12H,6-8,13-14H2,1-5H3,(H,22,23)(H,24,25)