[4-azanyl-3-(3,4-dichlorophenyl)-3-(oxan-2-yloxy)butyl] benzoate

Systemtic Name: [4-azanyl-3-(3,4-dichlorophenyl)-3-(oxan-2-yloxy)butyl] benzoate Openeye Name: [4-amino-3-(3,4-dichlorophenyl)-3-tetrahydropyran-2-yloxy-butyl] benzoate CAS Name: benzoic acid [4-amino-3-(3,4-dichlorophenyl)-3-(2-oxanyloxy)butyl] ester IUPAC Name: [4-amino-3-(3,4-dichlorophenyl)-3-(oxan-2-yloxy)butyl] benzoate Traditional Name: benzoic acid [4-amino-3-(3,4-dichlorophenyl)-3-tetrahydropyran-2-yloxy-butyl] ester Formula: C22H25Cl2NO4 MolecularWeight: 438.3442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC(CCOC(=O)C2=CC=CC=C2)(CN)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCOC(C1)OC(CCOC(=O)C2=CC=CC=C2)(CN)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H25Cl2NO4/c23-18-10-9-17(14-19(18)24)22(15-25,29-20-8-4-5-12-27-20)11-13-28-21(26)16-6-2-1-3-7-16/h1-3,6-7,9-10,14,20H,4-5,8,11-13,15,25H2