3-azanylpropyl 4-[4-azanyl-3,5-bis(chloranyl)phenyl]-4-oxidanyl-2-phenoxy-butanoate

Systemtic Name: 3-azanylpropyl 4-[4-azanyl-3,5-bis(chloranyl)phenyl]-4-oxidanyl-2-phenoxy-butanoate Openeye Name: 3-aminopropyl 4-(4-amino-3,5-dichloro-phenyl)-4-hydroxy-2-phenoxy-butanoate CAS Name: 4-(4-amino-3,5-dichlorophenyl)-4-hydroxy-2-phenoxybutanoic acid 3-aminopropyl ester IUPAC Name: 3-aminopropyl 4-(4-amino-3,5-dichlorophenyl)-4-hydroxy-2-phenoxybutanoate Traditional Name: 4-(4-amino-3,5-dichloro-phenyl)-4-hydroxy-2-phenoxy-butyric acid 3-aminopropyl ester Formula: C19H22Cl2N2O4 MolecularWeight: 413.29498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CC(C2=CC(=C(C(=C2)Cl)N)Cl)O)C(=O)OCCCN

Isomeric SMILES

C1=CC=C(C=C1)OC(CC(C2=CC(=C(C(=C2)Cl)N)Cl)O)C(=O)OCCCN

InChI

InChI=1S/C19H22Cl2N2O4/c20-14-9-12(10-15(21)18(14)23)16(24)11-17(19(25)26-8-4-7-22)27-13-5-2-1-3-6-13/h1-3,5-6,9-10,16-17,24H,4,7-8,11,22-23H2