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

Systemtic Name: cyclohexyl (4aR,8S,8aR)-1-oxidanylidene-2-phenethyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylate Openeye Name: cyclohexyl (4aR,8S,8aR)-1-oxo-2-phenethyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylate CAS Name: (4aR,8S,8aR)-1-oxo-2-phenethyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4aR,8S,8aR)-1-oxo-2-phenethyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylate Traditional Name: (4aR,8S,8aR)-1-keto-2-phenethyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylic acid cyclohexyl ester Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2CC=CC3C2C(=O)N(CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)[C@H]2CC=C[C@@H]3[C@H]2C(=O)N(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H31NO3/c26-23-22-19(15-17-25(23)16-14-18-8-3-1-4-9-18)10-7-13-21(22)24(27)28-20-11-5-2-6-12-20/h1,3-4,7-10,19-22H,2,5-6,11-17H2/t19-,21-,22+/m0/s1