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

Systemtic Name: (1R,2S)-2-[[4-(3-methylphenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[[4-(3-methylphenoxy)phenyl]methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[[4-(3-methylphenoxy)phenyl]methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[4-(3-methylphenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[4-(3-methylphenoxy)benzyl]carbamoyl]cyclohexanecarboxylate Formula: C22H24NO4- MolecularWeight: 366.43026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-15-5-4-6-18(13-15)27-17-11-9-16(10-12-17)14-23-21(24)19-7-2-3-8-20(19)22(25)26/h4-6,9-13,19-20H,2-3,7-8,14H2,1H3,(H,23,24)(H,25,26)/p-1/t19-,20+/m0/s1