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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO5/c1-3-4-11-26-17-10-9-14(12-18(17)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