[3-[(4-bromophenyl)carbonyl-methyl-amino]-4-(dimethylamino)cyclohexyl] ethanoate

Systemtic Name: [3-[(4-bromophenyl)carbonyl-methyl-amino]-4-(dimethylamino)cyclohexyl] ethanoate Openeye Name: [3-[(4-bromobenzoyl)-methyl-amino]-4-(dimethylamino)cyclohexyl] acetate CAS Name: acetic acid [3-[[(4-bromophenyl)-oxomethyl]-methylamino]-4-(dimethylamino)cyclohexyl] ester IUPAC Name: [3-[(4-bromobenzoyl)-methylamino]-4-(dimethylamino)cyclohexyl] acetate Traditional Name: acetic acid [3-[(4-bromobenzoyl)-methyl-amino]-4-(dimethylamino)cyclohexyl] ester Formula: C18H25BrN2O3 MolecularWeight: 397.3067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN2O3/c1-12(22)24-15-9-10-16(20(2)3)17(11-15)21(4)18(23)13-5-7-14(19)8-6-13/h5-8,15-17H,9-11H2,1-4H3