ethanedioic acid; ethyl 3-azanyl-3-(3-chloranyl-4-methyl-phenyl)propanoate

Systemtic Name: ethanedioic acid; ethyl 3-azanyl-3-(3-chloranyl-4-methyl-phenyl)propanoate Openeye Name: ethyl 3-amino-3-(3-chloro-4-methyl-phenyl)propanoate; oxalic acid CAS Name: 3-amino-3-(3-chloro-4-methylphenyl)propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-amino-3-(3-chloro-4-methylphenyl)propanoate; oxalic acid Traditional Name: 3-amino-3-(3-chloro-4-methyl-phenyl)propionic acid ethyl ester; oxalic acid Formula: C14H18ClNO6 MolecularWeight: 331.74882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=C(C=C1)C)Cl)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)CC(C1=CC(=C(C=C1)C)Cl)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16ClNO2.C2H2O4/c1-3-16-12(15)7-11(14)9-5-4-8(2)10(13)6-9;3-1(4)2(5)6/h4-6,11H,3,7,14H2,1-2H3;(H,3,4)(H,5,6)