2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methyl-amino]-5-(pentanoylamino)benzoic acid

Systemtic Name: 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methyl-amino]-5-(pentanoylamino)benzoic acid Openeye Name: 2-[2-(3,5-dimethylisoxazol-4-yl)ethyl-methyl-amino]-5-(pentanoylamino)benzoic acid CAS Name: 2-[2-(3,5-dimethyl-4-isoxazolyl)ethyl-methylamino]-5-(1-oxopentylamino)benzoic acid IUPAC Name: 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]-5-(pentanoylamino)benzoic acid Traditional Name: 2-[2-(3,5-dimethylisoxazol-4-yl)ethyl-methyl-amino]-5-(valerylamino)benzoic acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=C(C=C1)N(C)CCC2=C(ON=C2C)C)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C=C1)N(C)CCC2=C(ON=C2C)C)C(=O)O

InChI

InChI=1S/C20H27N3O4/c1-5-6-7-19(24)21-15-8-9-18(17(12-15)20(25)26)23(4)11-10-16-13(2)22-27-14(16)3/h8-9,12H,5-7,10-11H2,1-4H3,(H,21,24)(H,25,26)