(1R,2S)-2-[2-(2-butoxy-3-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[2-(2-butoxy-3-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[2-(2-butoxy-3-methoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[2-(2-butoxy-3-methoxyphenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[2-(2-butoxy-3-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-(2-butoxy-3-methoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate Formula: C21H30NO5- MolecularWeight: 376.4666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC=C1OC)CCNC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=CC=C1OC)CCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C21H31NO5/c1-3-4-14-27-19-15(8-7-11-18(19)26-2)12-13-22-20(23)16-9-5-6-10-17(16)21(24)25/h7-8,11,16-17H,3-6,9-10,12-14H2,1-2H3,(H,22,23)(H,24,25)/p-1/t16-,17+/m0/s1