tert-butyl (7R,8R,9aR)-7,8-dimethyl-8-(3-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylate

Systemtic Name: tert-butyl (7R,8R,9aR)-7,8-dimethyl-8-(3-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylate Openeye Name: tert-butyl (7R,8R,9aR)-8-(3-benzyloxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylate CAS Name: (7R,8R,9aR)-7,8-dimethyl-8-(3-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (7R,8R,9aR)-7,8-dimethyl-8-(3-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylate Traditional Name: (7R,8R,9aR)-8-(3-benzoxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylic acid tert-butyl ester Formula: C28H38N2O3 MolecularWeight: 450.61292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN2CCN(CC2CC1(C)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H38N2O3/c1-21-18-29-14-15-30(26(31)33-27(2,3)4)19-24(29)17-28(21,5)23-12-9-13-25(16-23)32-20-22-10-7-6-8-11-22/h6-13,16,21,24H,14-15,17-20H2,1-5H3/t21-,24+,28+/m0/s1