4-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid

Systemtic Name: 4-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid Openeye Name: 4-[4-[2-(butylamino)-2-oxo-ethyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid CAS Name: 4-[4-[2-(butylamino)-2-oxoethyl]-1-piperazinyl]-3-(1-oxopropylamino)benzoic acid IUPAC Name: 4-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid Traditional Name: 4-[4-[2-(butylamino)-2-keto-ethyl]piperazino]-3-propionamido-benzoic acid Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)CC

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)CC

InChI

InChI=1S/C20H30N4O4/c1-3-5-8-21-19(26)14-23-9-11-24(12-10-23)17-7-6-15(20(27)28)13-16(17)22-18(25)4-2/h6-7,13H,3-5,8-12,14H2,1-2H3,(H,21,26)(H,22,25)(H,27,28)