(1R,2S)-2-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[[5-(butanoylamino)-2-chloro-phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[2-chloro-5-(1-oxobutylamino)anilino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[5-(butanoylamino)-2-chlorophenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(5-butyramido-2-chloro-phenyl)carbamoyl]cyclohexanecarboxylate Formula: C18H22ClN2O4- MolecularWeight: 365.83128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C18H23ClN2O4/c1-2-5-16(22)20-11-8-9-14(19)15(10-11)21-17(23)12-6-3-4-7-13(12)18(24)25/h8-10,12-13H,2-7H2,1H3,(H,20,22)(H,21,23)(H,24,25)/p-1/t12-,13+/m0/s1