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

Systemtic Name: [2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 4-ethoxybenzoate Openeye Name: [2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic 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=CC=C(C=C2)OCC

Isomeric SMILES

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

InChI

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