[3-(3-bromophenyl)-1-(dimethylamino)-4-phenyl-butyl] 2-oxidanylbenzoate

Systemtic Name: [3-(3-bromophenyl)-1-(dimethylamino)-4-phenyl-butyl] 2-oxidanylbenzoate Openeye Name: [3-(3-bromophenyl)-1-(dimethylamino)-4-phenyl-butyl] 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid [3-(3-bromophenyl)-1-(dimethylamino)-4-phenylbutyl] ester IUPAC Name: [3-(3-bromophenyl)-1-(dimethylamino)-4-phenylbutyl] 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid [3-(3-bromophenyl)-1-(dimethylamino)-4-phenyl-butyl] ester Formula: C25H26BrNO3 MolecularWeight: 468.38284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC(CC1=CC=CC=C1)C2=CC(=CC=C2)Br)OC(=O)C3=CC=CC=C3O

Isomeric SMILES

CN(C)C(CC(CC1=CC=CC=C1)C2=CC(=CC=C2)Br)OC(=O)C3=CC=CC=C3O

InChI

InChI=1S/C25H26BrNO3/c1-27(2)24(30-25(29)22-13-6-7-14-23(22)28)17-20(15-18-9-4-3-5-10-18)19-11-8-12-21(26)16-19/h3-14,16,20,24,28H,15,17H2,1-2H3