[(1S,3S)-3-methylcyclohexyl] 3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]azetidine-1-carboxylate

Systemtic Name: [(1S,3S)-3-methylcyclohexyl] 3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]azetidine-1-carboxylate Openeye Name: [(1S,3S)-3-methylcyclohexyl] 3-[(4-hydroxy-3-methoxy-phenyl)methylcarbamoyl]azetidine-1-carboxylate CAS Name: 3-[[(4-hydroxy-3-methoxyphenyl)methylamino]-oxomethyl]-1-azetidinecarboxylic acid [(1S,3S)-3-methylcyclohexyl] ester IUPAC Name: [(1S,3S)-3-methylcyclohexyl] 3-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]azetidine-1-carboxylate Traditional Name: 3-(vanillylcarbamoyl)azetidine-1-carboxylic acid [(1S,3S)-3-methylcyclohexyl] ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)N2CC(C2)C(=O)NCC3=CC(=C(C=C3)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5/c1-13-4-3-5-16(8-13)27-20(25)22-11-15(12-22)19(24)21-10-14-6-7-17(23)18(9-14)26-2/h6-7,9,13,15-16,23H,3-5,8,10-12H2,1-2H3,(H,21,24)/t13-,16-/m0/s1