(1R,2S)-2-[2-(3-pentoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[2-(3-pentoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[2-(3-pentoxyphenyl)ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[oxo-[2-(3-pentoxyphenyl)ethylamino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[2-(3-pentoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-(3-amoxyphenyl)ethylcarbamoyl]cyclohexanecarboxylate Formula: C21H30NO4- MolecularWeight: 360.4672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)CCNC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)CCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C21H31NO4/c1-2-3-6-14-26-17-9-7-8-16(15-17)12-13-22-20(23)18-10-4-5-11-19(18)21(24)25/h7-9,15,18-19H,2-6,10-14H2,1H3,(H,22,23)(H,24,25)/p-1/t18-,19+/m0/s1