[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-phenoxybutanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-phenoxybutanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C22H27NO4/c1-2-3-8-18-12-14-19(15-13-18)23-21(24)17-27-22(25)11-7-16-26-20-9-5-4-6-10-20/h4-6,9-10,12-15H,2-3,7-8,11,16-17H2,1H3,(H,23,24)