[3-[(1S)-1-cyano-1H-isoquinolin-2-yl]-3-oxidanylidene-propyl] propanoate

Systemtic Name: [3-[(1S)-1-cyano-1H-isoquinolin-2-yl]-3-oxidanylidene-propyl] propanoate Openeye Name: [3-[(1S)-1-cyano-1H-isoquinolin-2-yl]-3-oxo-propyl] propanoate CAS Name: propanoic acid [3-[(1S)-1-cyano-1H-isoquinolin-2-yl]-3-oxopropyl] ester IUPAC Name: [3-[(1S)-1-cyano-1H-isoquinolin-2-yl]-3-oxopropyl] propanoate Traditional Name: propionic acid [3-[(1S)-1-cyano-1H-isoquinolin-2-yl]-3-keto-propyl] ester Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCC(=O)N1C=CC2=CC=CC=C2C1C#N

Isomeric SMILES

CCC(=O)OCCC(=O)N1C=CC2=CC=CC=C2[C@H]1C#N

InChI

InChI=1S/C16H16N2O3/c1-2-16(20)21-10-8-15(19)18-9-7-12-5-3-4-6-13(12)14(18)11-17/h3-7,9,14H,2,8,10H2,1H3/t14-/m1/s1