[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-methoxybenzoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-methoxybenzoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)OC

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C22H25NO5/c1-3-4-5-9-21(25)23-18-12-10-16(11-13-18)20(24)15-28-22(26)17-7-6-8-19(14-17)27-2/h6-8,10-14H,3-5,9,15H2,1-2H3,(H,23,25)