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

Systemtic Name: (1R,2S)-2-[(3-butoxy-4-methoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(3-butoxy-4-methoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[(3-butoxy-4-methoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(3-butoxy-4-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(3-butoxy-4-methoxy-benzyl)carbamoyl]cyclohexanecarboxylate Formula: C20H28NO5- MolecularWeight: 362.44002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CNC(=O)C2CCCCC2C(=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])OC

InChI

InChI=1S/C20H29NO5/c1-3-4-11-26-18-12-14(9-10-17(18)25-2)13-21-19(22)15-7-5-6-8-16(15)20(23)24/h9-10,12,15-16H,3-8,11,13H2,1-2H3,(H,21,22)(H,23,24)/p-1/t15-,16+/m0/s1