2-oxidanylidene-2-[2-phenethyl-4-[propyl(pyrrol-1-yl)amino]piperidin-1-yl]oxy-ethanoate

Systemtic Name: 2-oxidanylidene-2-[2-phenethyl-4-[propyl(pyrrol-1-yl)amino]piperidin-1-yl]oxy-ethanoate Openeye Name: 2-oxo-2-[[2-phenethyl-4-[propyl(pyrrol-1-yl)amino]-1-piperidyl]oxy]acetate CAS Name: 2-oxo-2-[[2-phenethyl-4-[propyl(1-pyrrolyl)amino]-1-piperidinyl]oxy]acetate IUPAC Name: 2-oxo-2-[2-phenethyl-4-[propyl(pyrrol-1-yl)amino]piperidin-1-yl]oxyacetate Traditional Name: 2-keto-2-[2-phenethyl-4-[propyl(pyrrol-1-yl)amino]piperidino]oxy-acetate Formula: C22H28N3O4- MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCN(C(C1)CCC2=CC=CC=C2)OC(=O)C(=O)[O-])N3C=CC=C3

Isomeric SMILES

CCCN(C1CCN(C(C1)CCC2=CC=CC=C2)OC(=O)C(=O)[O-])N3C=CC=C3

InChI

InChI=1S/C22H29N3O4/c1-2-13-24(23-14-6-7-15-23)19-12-16-25(29-22(28)21(26)27)20(17-19)11-10-18-8-4-3-5-9-18/h3-9,14-15,19-20H,2,10-13,16-17H2,1H3,(H,26,27)/p-1