[3-[2-(3,4-dichlorophenyl)ethanoyl-methyl-amino]-4-pyrrolidin-1-yl-cyclohexyl] ethanoate

Systemtic Name: [3-[2-(3,4-dichlorophenyl)ethanoyl-methyl-amino]-4-pyrrolidin-1-yl-cyclohexyl] ethanoate Openeye Name: [3-[[2-(3,4-dichlorophenyl)acetyl]-methyl-amino]-4-pyrrolidin-1-yl-cyclohexyl] acetate CAS Name: acetic acid [3-[[2-(3,4-dichlorophenyl)-1-oxoethyl]-methylamino]-4-(1-pyrrolidinyl)cyclohexyl] ester IUPAC Name: [3-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-4-pyrrolidin-1-ylcyclohexyl] acetate Traditional Name: acetic acid [3-[[2-(3,4-dichlorophenyl)acetyl]-methyl-amino]-4-pyrrolidino-cyclohexyl] ester Formula: C21H28Cl2N2O3 MolecularWeight: 427.36462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(C(C1)N(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl)N3CCCC3

Isomeric SMILES

CC(=O)OC1CCC(C(C1)N(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl)N3CCCC3

InChI

InChI=1S/C21H28Cl2N2O3/c1-14(26)28-16-6-8-19(25-9-3-4-10-25)20(13-16)24(2)21(27)12-15-5-7-17(22)18(23)11-15/h5,7,11,16,19-20H,3-4,6,8-10,12-13H2,1-2H3