[(1S,3S)-3-[bis(4-dimethylaminophenyl)methyl]-4-oxidanylidene-cyclohexyl] ethanoate

Systemtic Name: [(1S,3S)-3-[bis(4-dimethylaminophenyl)methyl]-4-oxidanylidene-cyclohexyl] ethanoate Openeye Name: [(1S,3S)-3-[bis(4-dimethylaminophenyl)methyl]-4-oxo-cyclohexyl] acetate CAS Name: acetic acid [(1S,3S)-3-[bis(4-dimethylaminophenyl)methyl]-4-oxocyclohexyl] ester IUPAC Name: [(1S,3S)-3-[bis(4-dimethylaminophenyl)methyl]-4-oxocyclohexyl] acetate Traditional Name: acetic acid [(1S,3S)-3-[bis(4-dimethylaminophenyl)methyl]-4-keto-cyclohexyl] ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(=O)C(C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC(=O)O[C@H]1CCC(=O)[C@@H](C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C25H32N2O3/c1-17(28)30-22-14-15-24(29)23(16-22)25(18-6-10-20(11-7-18)26(2)3)19-8-12-21(13-9-19)27(4)5/h6-13,22-23,25H,14-16H2,1-5H3/t22-,23+/m0/s1