[1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 4-methyl-3-oxidanyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [1-oxo-1-(1-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [2-keto-1-methyl-2-(1-phenylbutylamino)ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)C)O

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)C)O

InChI

InChI=1S/C21H25NO4/c1-4-8-18(16-9-6-5-7-10-16)22-20(24)15(3)26-21(25)17-12-11-14(2)19(23)13-17/h5-7,9-13,15,18,23H,4,8H2,1-3H3,(H,22,24)