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

Systemtic Name: (2-propan-2-ylphenyl) 3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]azetidine-1-carboxylate Openeye Name: (2-isopropylphenyl) 3-[(4-hydroxy-3-methoxy-phenyl)methylcarbamoyl]azetidine-1-carboxylate CAS Name: 3-[[(4-hydroxy-3-methoxyphenyl)methylamino]-oxomethyl]-1-azetidinecarboxylic acid (2-propan-2-ylphenyl) ester IUPAC Name: (2-propan-2-ylphenyl) 3-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]azetidine-1-carboxylate Traditional Name: 3-(vanillylcarbamoyl)azetidine-1-carboxylic acid o-cumenyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC(=O)N2CC(C2)C(=O)NCC3=CC(=C(C=C3)O)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1OC(=O)N2CC(C2)C(=O)NCC3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C22H26N2O5/c1-14(2)17-6-4-5-7-19(17)29-22(27)24-12-16(13-24)21(26)23-11-15-8-9-18(25)20(10-15)28-3/h4-10,14,16,25H,11-13H2,1-3H3,(H,23,26)