[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [(1S)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)benzoic acid [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid [(1S)-2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=C(C=C3)OCC(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=C(C=C3)OCC(=O)N

InChI

InChI=1S/C21H22N2O5/c1-13(20(25)23-17-8-5-14-3-2-4-16(14)11-17)28-21(26)15-6-9-18(10-7-15)27-12-19(22)24/h5-11,13H,2-4,12H2,1H3,(H2,22,24)(H,23,25)/t13-/m0/s1