3-[3-(butylamino)-2-oxidanyl-propoxy]-4-chloranyl-benzoic acid

Systemtic Name: 3-[3-(butylamino)-2-oxidanyl-propoxy]-4-chloranyl-benzoic acid Openeye Name: 3-[3-(butylamino)-2-hydroxy-propoxy]-4-chloro-benzoic acid CAS Name: 3-[3-(butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid IUPAC Name: 3-[3-(butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid Traditional Name: 3-[3-(butylamino)-2-hydroxy-propoxy]-4-chloro-benzoic acid Formula: C14H20ClNO4 MolecularWeight: 301.7659

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(COC1=C(C=CC(=C1)C(=O)O)Cl)O

Isomeric SMILES

CCCCNCC(COC1=C(C=CC(=C1)C(=O)O)Cl)O

InChI

InChI=1S/C14H20ClNO4/c1-2-3-6-16-8-11(17)9-20-13-7-10(14(18)19)4-5-12(13)15/h4-5,7,11,16-17H,2-3,6,8-9H2,1H3,(H,18,19)