(1R,2S)-2-[[4-(butanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[[4-(butanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[[4-(butanoylamino)phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[oxo-[4-(1-oxobutylamino)anilino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[4-(butanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(4-butyramidophenyl)carbamoyl]cyclohexanecarboxylate Formula: C18H23N2O4- MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-2-5-16(21)19-12-8-10-13(11-9-12)20-17(22)14-6-3-4-7-15(14)18(23)24/h8-11,14-15H,2-7H2,1H3,(H,19,21)(H,20,22)(H,23,24)/p-1/t14-,15+/m0/s1