diethyl 5-(phenylmethyl)-4H-isoquinoline-3,3-dicarboxylate

Systemtic Name: diethyl 5-(phenylmethyl)-4H-isoquinoline-3,3-dicarboxylate Openeye Name: diethyl 5-benzyl-4H-isoquinoline-3,3-dicarboxylate CAS Name: 5-(phenylmethyl)-4H-isoquinoline-3,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-benzyl-4H-isoquinoline-3,3-dicarboxylate Traditional Name: 5-benzyl-4H-isoquinoline-3,3-dicarboxylic acid diethyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=C(C=CC=C2CC3=CC=CC=C3)C=N1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC2=C(C=CC=C2CC3=CC=CC=C3)C=N1)C(=O)OCC

InChI

InChI=1S/C22H23NO4/c1-3-26-20(24)22(21(25)27-4-2)14-19-17(11-8-12-18(19)15-23-22)13-16-9-6-5-7-10-16/h5-12,15H,3-4,13-14H2,1-2H3