methyl 4a-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1,3,4,5,7,8-hexahydroisoquinoline-8a-carboxylate

Systemtic Name: methyl 4a-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1,3,4,5,7,8-hexahydroisoquinoline-8a-carboxylate Openeye Name: methyl 2-benzyl-4a-hydroxy-6-oxo-1,3,4,5,7,8-hexahydroisoquinoline-8a-carboxylate CAS Name: 4a-hydroxy-6-oxo-2-(phenylmethyl)-1,3,4,5,7,8-hexahydroisoquinoline-8a-carboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-4a-hydroxy-6-oxo-1,3,4,5,7,8-hexahydroisoquinoline-8a-carboxylate Traditional Name: 2-benzyl-4a-hydroxy-6-keto-1,3,4,5,7,8-hexahydroisoquinoline-8a-carboxylic acid methyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCC(=O)CC1(CCN(C2)CC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C12CCC(=O)CC1(CCN(C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C18H23NO4/c1-23-16(21)17-8-7-15(20)11-18(17,22)9-10-19(13-17)12-14-5-3-2-4-6-14/h2-6,22H,7-13H2,1H3