2,2,3-trimethyl-3-[[1-oxidanyl-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid

Systemtic Name: 2,2,3-trimethyl-3-[[1-oxidanyl-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid Openeye Name: 3-[[1-[(4-benzyloxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]-2,2,3-trimethyl-cyclopentanecarboxylic acid CAS Name: 3-[[[1-hydroxy-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-oxomethyl]-2,2,3-trimethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-[[1-hydroxy-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamoyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid Traditional Name: 3-[[1-(4-benzoxybenzyl)-2-hydroxy-2-keto-ethyl]carbamoyl]-2,2,3-trimethyl-cyclopentanecarboxylic acid Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1(C(CCC1(C)C(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C(=O)O)C

InChI

InChI=1S/C26H31NO6/c1-25(2)20(22(28)29)13-14-26(25,3)24(32)27-21(23(30)31)15-17-9-11-19(12-10-17)33-16-18-7-5-4-6-8-18/h4-12,20-21H,13-16H2,1-3H3,(H,27,32)(H,28,29)(H,30,31)