5-[(3,4-dimethoxyphenyl)amino]pentanoate

Systemtic Name: 5-[(3,4-dimethoxyphenyl)amino]pentanoate Openeye Name: 5-(3,4-dimethoxyanilino)pentanoate CAS Name: 5-(3,4-dimethoxyanilino)pentanoate IUPAC Name: 5-(3,4-dimethoxyanilino)pentanoate Traditional Name: 5-(3,4-dimethoxyanilino)valerate Formula: C13H18NO4- MolecularWeight: 252.28632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NCCCCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NCCCCC(=O)[O-])OC

InChI

InChI=1S/C13H19NO4/c1-17-11-7-6-10(9-12(11)18-2)14-8-4-3-5-13(15)16/h6-7,9,14H,3-5,8H2,1-2H3,(H,15,16)/p-1