(1R,2S)-2-[[3-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[[3-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[[3-methyl-4-(o-tolylazo)phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[3-methyl-4-(2-methylphenyl)azoanilino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[3-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[3-methyl-4-(o-tolylazo)phenyl]carbamoyl]cyclohexanecarboxylate Formula: C22H24N3O3- MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=NC2=C(C=C(C=C2)NC(=O)C3CCCCC3C(=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N=NC2=C(C=C(C=C2)NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])C

InChI

InChI=1S/C22H25N3O3/c1-14-7-3-6-10-19(14)24-25-20-12-11-16(13-15(20)2)23-21(26)17-8-4-5-9-18(17)22(27)28/h3,6-7,10-13,17-18H,4-5,8-9H2,1-2H3,(H,23,26)(H,27,28)/p-1/t17-,18+/m0/s1