[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]azetidine-1-carboxylate

Systemtic Name: [(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]azetidine-1-carboxylate Openeye Name: [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 3-[(4-hydroxy-3-methoxy-phenyl)methylcarbamoyl]azetidine-1-carboxylate CAS Name: 3-[[(4-hydroxy-3-methoxyphenyl)methylamino]-oxomethyl]-1-azetidinecarboxylic acid [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]azetidine-1-carboxylate Traditional Name: 3-(vanillylcarbamoyl)azetidine-1-carboxylic acid [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CC(C2)C(=O)NCC3=CC(=C(C=C3)O)OC)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@H](C1)OC(=O)N2CC(C2)C(=O)NCC3=CC(=C(C=C3)O)OC)C(C)C

InChI

InChI=1S/C23H34N2O5/c1-14(2)18-7-5-15(3)9-20(18)30-23(28)25-12-17(13-25)22(27)24-11-16-6-8-19(26)21(10-16)29-4/h6,8,10,14-15,17-18,20,26H,5,7,9,11-13H2,1-4H3,(H,24,27)/t15-,18+,20+/m1/s1