5-[4-azanyl-1-(3-carboxy-5-chloranyl-4-methoxy-phenyl)but-1-enyl]-3-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 5-[4-azanyl-1-(3-carboxy-5-chloranyl-4-methoxy-phenyl)but-1-enyl]-3-chloranyl-2-methoxy-benzoic acid Openeye Name: 5-[4-amino-1-(3-carboxy-5-chloro-4-methoxy-phenyl)but-1-enyl]-3-chloro-2-methoxy-benzoic acid CAS Name: 5-[4-amino-1-(3-carboxy-5-chloro-4-methoxyphenyl)but-1-enyl]-3-chloro-2-methoxybenzoic acid IUPAC Name: 5-[4-amino-1-(3-carboxy-5-chloro-4-methoxyphenyl)but-1-enyl]-3-chloro-2-methoxybenzoic acid Traditional Name: 5-[4-amino-1-(3-carboxy-5-chloro-4-methoxy-phenyl)but-1-enyl]-3-chloro-2-methoxy-benzoic acid Formula: C20H19Cl2NO6 MolecularWeight: 440.27396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=CCCN)C2=CC(=C(C(=C2)Cl)OC)C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=CCCN)C2=CC(=C(C(=C2)Cl)OC)C(=O)O)C(=O)O

InChI

InChI=1S/C20H19Cl2NO6/c1-28-17-13(19(24)25)6-10(8-15(17)21)12(4-3-5-23)11-7-14(20(26)27)18(29-2)16(22)9-11/h4,6-9H,3,5,23H2,1-2H3,(H,24,25)(H,26,27)