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

Systemtic Name: (1R,2S)-2-[[4-(3,4-dimethylphenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[[4-(3,4-dimethylphenoxy)phenyl]methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[[4-(3,4-dimethylphenoxy)phenyl]methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[4-(3,4-dimethylphenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[4-(3,4-dimethylphenoxy)benzyl]carbamoyl]cyclohexanecarboxylate Formula: C23H26NO4- MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4/c1-15-7-10-19(13-16(15)2)28-18-11-8-17(9-12-18)14-24-22(25)20-5-3-4-6-21(20)23(26)27/h7-13,20-21H,3-6,14H2,1-2H3,(H,24,25)(H,26,27)/p-1/t20-,21+/m0/s1