1-[5-[(5-azanyl-2,4,4-trimethyl-5-oxidanylidene-pentan-2-yl)carbamoylamino]-3-chloranyl-2-oxidanyl-phenyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[5-[(5-azanyl-2,4,4-trimethyl-5-oxidanylidene-pentan-2-yl)carbamoylamino]-3-chloranyl-2-oxidanyl-phenyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[5-[(4-amino-1,1,3,3-tetramethyl-4-oxo-butyl)carbamoylamino]-3-chloro-2-hydroxy-phenyl]cyclopentanecarboxylic acid CAS Name: 1-[5-[[[(5-amino-2,4,4-trimethyl-5-oxopentan-2-yl)amino]-oxomethyl]amino]-3-chloro-2-hydroxyphenyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[5-[(5-amino-2,4,4-trimethyl-5-oxopentan-2-yl)carbamoylamino]-3-chloro-2-hydroxyphenyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[5-[(4-amino-4-keto-1,1,3,3-tetramethyl-butyl)carbamoylamino]-3-chloro-2-hydroxy-phenyl]cyclopentanecarboxylic acid Formula: C21H30ClN3O5 MolecularWeight: 439.933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C)(C)NC(=O)NC1=CC(=C(C(=C1)C2(CCCC2)C(=O)O)O)Cl)C(=O)N

Isomeric SMILES

CC(C)(CC(C)(C)NC(=O)NC1=CC(=C(C(=C1)C2(CCCC2)C(=O)O)O)Cl)C(=O)N

InChI

InChI=1S/C21H30ClN3O5/c1-19(2,16(23)27)11-20(3,4)25-18(30)24-12-9-13(15(26)14(22)10-12)21(17(28)29)7-5-6-8-21/h9-10,26H,5-8,11H2,1-4H3,(H2,23,27)(H,28,29)(H2,24,25,30)