(4-butylcyclohexyl) 3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]azetidine-1-carboxylate

Systemtic Name: (4-butylcyclohexyl) 3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]azetidine-1-carboxylate Openeye Name: (4-butylcyclohexyl) 3-[(4-hydroxy-3-methoxy-phenyl)methylcarbamoyl]azetidine-1-carboxylate CAS Name: 3-[[(4-hydroxy-3-methoxyphenyl)methylamino]-oxomethyl]-1-azetidinecarboxylic acid (4-butylcyclohexyl) ester IUPAC Name: (4-butylcyclohexyl) 3-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]azetidine-1-carboxylate Traditional Name: 3-(vanillylcarbamoyl)azetidine-1-carboxylic acid (4-butylcyclohexyl) ester Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)OC(=O)N2CC(C2)C(=O)NCC3=CC(=C(C=C3)O)OC

Isomeric SMILES

CCCCC1CCC(CC1)OC(=O)N2CC(C2)C(=O)NCC3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C23H34N2O5/c1-3-4-5-16-6-9-19(10-7-16)30-23(28)25-14-18(15-25)22(27)24-13-17-8-11-20(26)21(12-17)29-2/h8,11-12,16,18-19,26H,3-7,9-10,13-15H2,1-2H3,(H,24,27)