phenyl (4aR,8S,8aR)-2-cyclohexyl-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylate

Systemtic Name: phenyl (4aR,8S,8aR)-2-cyclohexyl-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylate Openeye Name: phenyl (4aR,8S,8aR)-2-cyclohexyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylate CAS Name: (4aR,8S,8aR)-2-cyclohexyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylic acid phenyl ester IUPAC Name: phenyl (4aR,8S,8aR)-2-cyclohexyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylate Traditional Name: (4aR,8S,8aR)-2-cyclohexyl-1-keto-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylic acid phenyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC3C=CCC(C3C2=O)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CC[C@@H]3C=CC[C@@H]([C@@H]3C2=O)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H27NO3/c24-21-20-16(14-15-23(21)17-9-3-1-4-10-17)8-7-13-19(20)22(25)26-18-11-5-2-6-12-18/h2,5-8,11-12,16-17,19-20H,1,3-4,9-10,13-15H2/t16-,19-,20+/m0/s1