2-[2-(2-azanyl-5-chloranyl-phenyl)-1-(4-methoxyphenyl)ethyl]propanedioic acid

Systemtic Name: 2-[2-(2-azanyl-5-chloranyl-phenyl)-1-(4-methoxyphenyl)ethyl]propanedioic acid Openeye Name: 2-[2-(2-amino-5-chloro-phenyl)-1-(4-methoxyphenyl)ethyl]propanedioic acid CAS Name: 2-[2-(2-amino-5-chlorophenyl)-1-(4-methoxyphenyl)ethyl]propanedioic acid IUPAC Name: 2-[2-(2-amino-5-chlorophenyl)-1-(4-methoxyphenyl)ethyl]propanedioic acid Traditional Name: 2-[2-(2-amino-5-chloro-phenyl)-1-(4-methoxyphenyl)ethyl]malonic acid Formula: C18H18ClNO5 MolecularWeight: 363.79222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=C(C=CC(=C2)Cl)N)C(C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(CC2=C(C=CC(=C2)Cl)N)C(C(=O)O)C(=O)O

InChI

InChI=1S/C18H18ClNO5/c1-25-13-5-2-10(3-6-13)14(16(17(21)22)18(23)24)9-11-8-12(19)4-7-15(11)20/h2-8,14,16H,9,20H2,1H3,(H,21,22)(H,23,24)