[3-[(3,4-dichlorophenyl)carbonyl-methyl-amino]-4-pyrrolidin-1-yl-cycloheptyl] ethanoate

Systemtic Name: [3-[(3,4-dichlorophenyl)carbonyl-methyl-amino]-4-pyrrolidin-1-yl-cycloheptyl] ethanoate Openeye Name: [3-[(3,4-dichlorobenzoyl)-methyl-amino]-4-pyrrolidin-1-yl-cycloheptyl] acetate CAS Name: acetic acid [3-[[(3,4-dichlorophenyl)-oxomethyl]-methylamino]-4-(1-pyrrolidinyl)cycloheptyl] ester IUPAC Name: [3-[(3,4-dichlorobenzoyl)-methylamino]-4-pyrrolidin-1-ylcycloheptyl] acetate Traditional Name: acetic acid [3-[(3,4-dichlorobenzoyl)-methyl-amino]-4-pyrrolidino-cycloheptyl] ester Formula: C21H28Cl2N2O3 MolecularWeight: 427.36462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCC(C(C1)N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl)N3CCCC3

Isomeric SMILES

CC(=O)OC1CCCC(C(C1)N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl)N3CCCC3

InChI

InChI=1S/C21H28Cl2N2O3/c1-14(26)28-16-6-5-7-19(25-10-3-4-11-25)20(13-16)24(2)21(27)15-8-9-17(22)18(23)12-15/h8-9,12,16,19-20H,3-7,10-11,13H2,1-2H3