2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-(pentanoylamino)benzoic acid

Systemtic Name: 2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-(pentanoylamino)benzoic acid Openeye Name: 2-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-1-yl]-5-(pentanoylamino)benzoic acid CAS Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazinyl]-5-(1-oxopentylamino)benzoic acid IUPAC Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-5-(pentanoylamino)benzoic acid Traditional Name: 2-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazino]-5-(valerylamino)benzoic acid Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC(C)(C)C)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC(C)(C)C)C(=O)O

InChI

InChI=1S/C22H34N4O4/c1-5-6-7-19(27)23-16-8-9-18(17(14-16)21(29)30)26-12-10-25(11-13-26)15-20(28)24-22(2,3)4/h8-9,14H,5-7,10-13,15H2,1-4H3,(H,23,27)(H,24,28)(H,29,30)