[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 4-phenoxybutanoate

Systemtic Name: [2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 4-phenoxybutanoate Openeye Name: [2-[4-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-keto-2-[4-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)COC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C22H27NO4/c1-3-17(2)18-11-13-19(14-12-18)23-21(24)16-27-22(25)10-7-15-26-20-8-5-4-6-9-20/h4-6,8-9,11-14,17H,3,7,10,15-16H2,1-2H3,(H,23,24)/t17-/m0/s1