methyl (1S,4aR,8aS)-1-phenyl-8a-pyrrolidin-1-yl-2,4a,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (1S,4aR,8aS)-1-phenyl-8a-pyrrolidin-1-yl-2,4a,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (1S,4aR,8aS)-1-phenyl-8a-pyrrolidin-1-yl-2,4a,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylate CAS Name: (1S,4aR,8aS)-1-phenyl-8a-(1-pyrrolidinyl)-2,4a,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aR,8aS)-1-phenyl-8a-pyrrolidin-1-yl-2,4a,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylate Traditional Name: (1S,4aR,8aS)-1-phenyl-8a-pyrrolidino-2,4a,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2CCCCC2(C(N1)C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

COC(=O)C1=C[C@H]2CCCC[C@]2([C@@H](N1)C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C21H28N2O2/c1-25-20(24)18-15-17-11-5-6-12-21(17,23-13-7-8-14-23)19(22-18)16-9-3-2-4-10-16/h2-4,9-10,15,17,19,22H,5-8,11-14H2,1H3/t17-,19+,21+/m1/s1