ethyl 1-(1-oxidanylidene-3-phenyl-propan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-(1-oxidanylidene-3-phenyl-propan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-(1-benzyl-2-oxo-ethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(1-oxo-3-phenylpropan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-oxo-3-phenylpropan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(1-benzyl-2-keto-ethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC=CC=C2C1C(CC3=CC=CC=C3)C=O

Isomeric SMILES

CCOC(=O)N1CCC2=CC=CC=C2C1C(CC3=CC=CC=C3)C=O

InChI

InChI=1S/C21H23NO3/c1-2-25-21(24)22-13-12-17-10-6-7-11-19(17)20(22)18(15-23)14-16-8-4-3-5-9-16/h3-11,15,18,20H,2,12-14H2,1H3