ethyl 2-[4-[3-(aminomethyl)-4-oxidanyl-phenyl]carbonyl-3-chloranyl-phenoxy]-2-chloranyl-ethanoate

Systemtic Name: ethyl 2-[4-[3-(aminomethyl)-4-oxidanyl-phenyl]carbonyl-3-chloranyl-phenoxy]-2-chloranyl-ethanoate Openeye Name: ethyl 2-[4-[3-(aminomethyl)-4-hydroxy-benzoyl]-3-chloro-phenoxy]-2-chloro-acetate CAS Name: 2-[4-[[3-(aminomethyl)-4-hydroxyphenyl]-oxomethyl]-3-chlorophenoxy]-2-chloroacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(aminomethyl)-4-hydroxybenzoyl]-3-chlorophenoxy]-2-chloroacetate Traditional Name: 2-[4-[3-(aminomethyl)-4-hydroxy-benzoyl]-3-chloro-phenoxy]-2-chloro-acetic acid ethyl ester Formula: C18H17Cl2NO5 MolecularWeight: 398.23728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(OC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2)O)CN)Cl)Cl

Isomeric SMILES

CCOC(=O)C(OC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2)O)CN)Cl)Cl

InChI

InChI=1S/C18H17Cl2NO5/c1-2-25-18(24)17(20)26-12-4-5-13(14(19)8-12)16(23)10-3-6-15(22)11(7-10)9-21/h3-8,17,22H,2,9,21H2,1H3