(4-propan-2-ylcyclohexyl) 3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]azetidine-1-carboxylate

Systemtic Name: (4-propan-2-ylcyclohexyl) 3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]azetidine-1-carboxylate Openeye Name: (4-isopropylcyclohexyl) 3-[(4-hydroxy-3-methoxy-phenyl)methylcarbamoyl]azetidine-1-carboxylate CAS Name: 3-[[(4-hydroxy-3-methoxyphenyl)methylamino]-oxomethyl]-1-azetidinecarboxylic acid (4-propan-2-ylcyclohexyl) ester IUPAC Name: (4-propan-2-ylcyclohexyl) 3-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]azetidine-1-carboxylate Traditional Name: 3-(vanillylcarbamoyl)azetidine-1-carboxylic acid (4-isopropylcyclohexyl) ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(CC1)OC(=O)N2CC(C2)C(=O)NCC3=CC(=C(C=C3)O)OC

Isomeric SMILES

CC(C)C1CCC(CC1)OC(=O)N2CC(C2)C(=O)NCC3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C22H32N2O5/c1-14(2)16-5-7-18(8-6-16)29-22(27)24-12-17(13-24)21(26)23-11-15-4-9-19(25)20(10-15)28-3/h4,9-10,14,16-18,25H,5-8,11-13H2,1-3H3,(H,23,26)