(1R,2S)-2-[2-[4-(4-methylphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[2-[4-(4-methylphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[2-[4-(4-methylphenoxy)phenyl]ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[2-[4-(4-methylphenoxy)phenyl]ethylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[2-[4-(4-methylphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-[4-(4-methylphenoxy)phenyl]ethylcarbamoyl]cyclohexanecarboxylate Formula: C23H26NO4- MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4/c1-16-6-10-18(11-7-16)28-19-12-8-17(9-13-19)14-15-24-22(25)20-4-2-3-5-21(20)23(26)27/h6-13,20-21H,2-5,14-15H2,1H3,(H,24,25)(H,26,27)/p-1/t20-,21+/m0/s1