methyl (6aR)-6-oxidanylidene-5-(phenylmethyl)-8,9,10,10a-tetrahydro-7H-phenanthridine-6a-carboxylate

Systemtic Name: methyl (6aR)-6-oxidanylidene-5-(phenylmethyl)-8,9,10,10a-tetrahydro-7H-phenanthridine-6a-carboxylate Openeye Name: methyl (6aR)-5-benzyl-6-oxo-8,9,10,10a-tetrahydro-7H-phenanthridine-6a-carboxylate CAS Name: (6aR)-6-oxo-5-(phenylmethyl)-8,9,10,10a-tetrahydro-7H-phenanthridine-6a-carboxylic acid methyl ester IUPAC Name: methyl (6aR)-5-benzyl-6-oxo-8,9,10,10a-tetrahydro-7H-phenanthridine-6a-carboxylate Traditional Name: (6aR)-5-benzyl-6-keto-8,9,10,10a-tetrahydro-7H-phenanthridine-6a-carboxylic acid methyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCCCC1C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@]12CCCCC1C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H23NO3/c1-26-21(25)22-14-8-7-12-18(22)17-11-5-6-13-19(17)23(20(22)24)15-16-9-3-2-4-10-16/h2-6,9-11,13,18H,7-8,12,14-15H2,1H3/t18?,22-/m1/s1