[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-(2-aminocarbonylphenoxy)ethanoate

Systemtic Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-(2-aminocarbonylphenoxy)ethanoate Openeye Name: [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-(2-carbamoylphenoxy)acetate CAS Name: 2-(2-carbamoylphenoxy)acetic acid [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(2-carbamoylphenoxy)acetate Traditional Name: 2-(2-carbamoylphenoxy)acetic acid [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)COC3=CC=CC=C3C(=O)N

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)COC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H22N2O5/c1-14(21(26)23-11-10-15-6-2-3-7-16(15)12-23)28-19(24)13-27-18-9-5-4-8-17(18)20(22)25/h2-9,14H,10-13H2,1H3,(H2,22,25)/t14-/m0/s1