[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 2-methoxy-5-methyl-benzoate

Systemtic Name: [2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 2-methoxy-5-methyl-benzoate Openeye Name: [2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 2-methoxy-5-methyl-benzoate CAS Name: 2-methoxy-5-methylbenzoic acid [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxy-5-methylbenzoate Traditional Name: 2-methoxy-5-methyl-benzoic acid [2-keto-2-[2-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)C)OC

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)C)OC

InChI

InChI=1S/C21H25NO4/c1-5-15(3)16-8-6-7-9-18(16)22-20(23)13-26-21(24)17-12-14(2)10-11-19(17)25-4/h6-12,15H,5,13H2,1-4H3,(H,22,23)/t15-/m0/s1