methyl 2-(2,2-diphenylethanoyl)-6-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(2,2-diphenylethanoyl)-6-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(2,2-diphenylacetyl)-6-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 6-hydroxy-2-(1-oxo-2,2-diphenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,2-diphenylacetyl)-6-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2,2-diphenylacetyl)-6-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)O

Isomeric SMILES

COC(=O)C1CC2=C(CN1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)O

InChI

InChI=1S/C25H23NO4/c1-30-25(29)22-15-20-14-21(27)13-12-19(20)16-26(22)24(28)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,22-23,27H,15-16H2,1H3