[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O5/c1-14(20(26)22-16-8-3-2-4-9-16)28-19(25)11-12-23-18(24)13-15-7-5-6-10-17(15)21(23)27/h2-10,14H,11-13H2,1H3,(H,22,26)/t14-/m1/s1