ethyl 2-(isoquinolin-1-ylmethyl)-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: ethyl 2-(isoquinolin-1-ylmethyl)-3-oxidanylidene-3-phenyl-propanoate Openeye Name: ethyl 2-(1-isoquinolylmethyl)-3-oxo-3-phenyl-propanoate CAS Name: 2-(1-isoquinolinylmethyl)-3-oxo-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(isoquinolin-1-ylmethyl)-3-oxo-3-phenylpropanoate Traditional Name: 2-(1-isoquinolylmethyl)-3-keto-3-phenyl-propionic acid ethyl ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=NC=CC2=CC=CC=C21)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=NC=CC2=CC=CC=C21)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO3/c1-2-25-21(24)18(20(23)16-9-4-3-5-10-16)14-19-17-11-7-6-8-15(17)12-13-22-19/h3-13,18H,2,14H2,1H3