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

Systemtic Name: (1R,2S)-2-[2-[4-(4-ethylphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[2-[4-(4-ethylphenoxy)phenyl]ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[2-[4-(4-ethylphenoxy)phenyl]ethylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[2-[4-(4-ethylphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-[4-(4-ethylphenoxy)phenyl]ethylcarbamoyl]cyclohexanecarboxylate Formula: C24H28NO4- MolecularWeight: 394.48342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=CC=C(C=C2)CCNC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=CC=C(C=C2)CCNC(=O)[C@H]3CCCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C24H29NO4/c1-2-17-7-11-19(12-8-17)29-20-13-9-18(10-14-20)15-16-25-23(26)21-5-3-4-6-22(21)24(27)28/h7-14,21-22H,2-6,15-16H2,1H3,(H,25,26)(H,27,28)/p-1/t21-,22+/m0/s1