O8-(1-chloroethyl) O4-methyl (1S,3S,4S,5R)-3-(4-ethylphenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate

Systemtic Name: O8-(1-chloroethyl) O4-methyl (1S,3S,4S,5R)-3-(4-ethylphenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate Openeye Name: O8-(1-chloroethyl) O4-methyl (1S,3S,4S,5R)-3-(4-ethylphenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate CAS Name: (1S,3S,4S,5R)-3-(4-ethylphenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylic acid O8-(1-chloroethyl) ester O4-methyl ester IUPAC Name: 8-O-(1-chloroethyl) 4-O-methyl (1S,3S,4S,5R)-3-(4-ethylphenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate Traditional Name: (1S,3S,4S,5R)-3-(4-ethylphenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylic acid O8-(1-chloroethyl) ester O4-methyl ester Formula: C20H26ClNO4 MolecularWeight: 379.87774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC3CCC(C2C(=O)OC)N3C(=O)OC(C)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C(=O)OC(C)Cl

InChI

InChI=1S/C20H26ClNO4/c1-4-13-5-7-14(8-6-13)16-11-15-9-10-17(18(16)19(23)25-3)22(15)20(24)26-12(2)21/h5-8,12,15-18H,4,9-11H2,1-3H3/t12?,15-,16+,17+,18-/m0/s1