(1R,2S)-2-[(4-methoxy-2-pentoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[(4-methoxy-2-pentoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(4-methoxy-2-pentoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[(4-methoxy-2-pentoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(4-methoxy-2-pentoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(2-amoxy-4-methoxy-benzyl)carbamoyl]cyclohexanecarboxylate Formula: C21H30NO5- MolecularWeight: 376.4666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-3-4-7-12-27-19-13-16(26-2)11-10-15(19)14-22-20(23)17-8-5-6-9-18(17)21(24)25/h10-11,13,17-18H,3-9,12,14H2,1-2H3,(H,22,23)(H,24,25)/p-1/t17-,18+/m0/s1