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

Systemtic Name: (1R,2S)-2-[(3-pentoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(3-pentoxyphenyl)methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[oxo-[(3-pentoxyphenyl)methylamino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(3-pentoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(3-amoxybenzyl)carbamoyl]cyclohexanecarboxylate Formula: C20H28NO4- MolecularWeight: 346.44062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO4/c1-2-3-6-12-25-16-9-7-8-15(13-16)14-21-19(22)17-10-4-5-11-18(17)20(23)24/h7-9,13,17-18H,2-6,10-12,14H2,1H3,(H,21,22)(H,23,24)/p-1/t17-,18+/m0/s1