3-benzamidopropyl 2-azanyl-3-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]propanoate

Systemtic Name: 3-benzamidopropyl 2-azanyl-3-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]propanoate Openeye Name: 3-benzamidopropyl 2-amino-3-(3,5-dichloro-4-hydroxy-phenyl)propanoate CAS Name: 2-amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid 3-benzamidopropyl ester IUPAC Name: 3-benzamidopropyl 2-amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoate Traditional Name: 2-amino-3-(3,5-dichloro-4-hydroxy-phenyl)propionic acid 3-benzamidopropyl ester Formula: C19H20Cl2N2O4 MolecularWeight: 411.2791

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCCOC(=O)C(CC2=CC(=C(C(=C2)Cl)O)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCCOC(=O)C(CC2=CC(=C(C(=C2)Cl)O)Cl)N

InChI

InChI=1S/C19H20Cl2N2O4/c20-14-9-12(10-15(21)17(14)24)11-16(22)19(26)27-8-4-7-23-18(25)13-5-2-1-3-6-13/h1-3,5-6,9-10,16,24H,4,7-8,11,22H2,(H,23,25)