(1R,2S)-2-[[4-(2,6-dimethylphenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[[4-(2,6-dimethylphenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[[4-(2,6-dimethylphenoxy)phenyl]methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[[4-(2,6-dimethylphenoxy)phenyl]methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[4-(2,6-dimethylphenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[4-(2,6-dimethylphenoxy)benzyl]carbamoyl]cyclohexanecarboxylate Formula: C23H26NO4- MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)CNC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)CNC(=O)[C@H]3CCCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C23H27NO4/c1-15-6-5-7-16(2)21(15)28-18-12-10-17(11-13-18)14-24-22(25)19-8-3-4-9-20(19)23(26)27/h5-7,10-13,19-20H,3-4,8-9,14H2,1-2H3,(H,24,25)(H,26,27)/p-1/t19-,20+/m0/s1