ethyl 4-[[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonylamino]methyl]benzoate

Systemtic Name: ethyl 4-[[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonylamino]methyl]benzoate Openeye Name: ethyl 4-[[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]amino]methyl]benzoate CAS Name: 4-[[[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxomethyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]methyl]benzoate Traditional Name: 4-[[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]amino]methyl]benzoic acid ethyl ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC(=O)C2CC(CCC2C(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC(=O)[C@@H]2C[C@@H](CC[C@H]2C(C)C)C

InChI

InChI=1S/C21H31NO3/c1-5-25-21(24)17-9-7-16(8-10-17)13-22-20(23)19-12-15(4)6-11-18(19)14(2)3/h7-10,14-15,18-19H,5-6,11-13H2,1-4H3,(H,22,23)/t15-,18+,19-/m1/s1