[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl] 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)benzoic acid [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid [2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)OCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-3-14(2)15-4-6-16(7-5-15)19(23)12-27-21(25)17-8-10-18(11-9-17)26-13-20(22)24/h4-11,14H,3,12-13H2,1-2H3,(H2,22,24)/t14-/m0/s1