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

Systemtic Name: 4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]-3-(propanoylamino)benzoic acid Openeye Name: 4-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-yl]-3-(propanoylamino)benzoic acid CAS Name: 4-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]-3-(1-oxopropylamino)benzoic acid IUPAC Name: 4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-3-(propanoylamino)benzoic acid Traditional Name: 4-[4-(2-keto-2-morpholino-ethyl)piperazino]-3-propionamido-benzoic acid Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC(=O)N3CCOCC3

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C20H28N4O5/c1-2-18(25)21-16-13-15(20(27)28)3-4-17(16)23-7-5-22(6-8-23)14-19(26)24-9-11-29-12-10-24/h3-4,13H,2,5-12,14H2,1H3,(H,21,25)(H,27,28)