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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC=C(C=C2)CCNC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OC2=CC=C(C=C2)CCNC(=O)[C@H]3CCCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C23H27NO4/c1-16-6-2-5-9-21(16)28-18-12-10-17(11-13-18)14-15-24-22(25)19-7-3-4-8-20(19)23(26)27/h2,5-6,9-13,19-20H,3-4,7-8,14-15H2,1H3,(H,24,25)(H,26,27)/p-1/t19-,20+/m0/s1