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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO5/c1-10(11-3-6-13(25-2)7-4-11)18(16(21)22,17(23)24)14-9-12(19)5-8-15(14)20/h3-10H,20H2,1-2H3,(H,21,22)(H,23,24)