2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid

Systemtic Name: 2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 5-(1-oxopropylamino)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 2-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]-5-propionamido-benzoic acid Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)N3CCCC3)C(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)N3CCCC3)C(=O)O

InChI

InChI=1S/C20H28N4O4/c1-2-18(25)21-15-5-6-17(16(13-15)20(27)28)23-11-9-22(10-12-23)14-19(26)24-7-3-4-8-24/h5-6,13H,2-4,7-12,14H2,1H3,(H,21,25)(H,27,28)