4-[(5-chloranyl-2-propoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-chloranyl-2-propoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-chloro-2-propoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(5-chloro-2-propoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(5-chloro-2-propoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(5-chloro-2-propoxy-benzyl)amino]-4-keto-butyric acid Formula: C14H18ClNO4 MolecularWeight: 299.75002

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Cl)CNC(=O)CCC(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Cl)CNC(=O)CCC(=O)O

InChI

InChI=1S/C14H18ClNO4/c1-2-7-20-12-4-3-11(15)8-10(12)9-16-13(17)5-6-14(18)19/h3-4,8H,2,5-7,9H2,1H3,(H,16,17)(H,18,19)