(1R,2S)-2-[2-(3-methoxy-4-propoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[2-(3-methoxy-4-propoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[2-(3-methoxy-4-propoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[2-(3-methoxy-4-propoxyphenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[2-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-(3-methoxy-4-propoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate Formula: C20H28NO5- MolecularWeight: 362.44002

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CCNC(=O)C2CCCCC2C(=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])OC

InChI

InChI=1S/C20H29NO5/c1-3-12-26-17-9-8-14(13-18(17)25-2)10-11-21-19(22)15-6-4-5-7-16(15)20(23)24/h8-9,13,15-16H,3-7,10-12H2,1-2H3,(H,21,22)(H,23,24)/p-1/t15-,16+/m0/s1