2-[3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4-[4-oxidanylidene-4-(4-pyridin-4-ylpiperazin-1-yl)butanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4-[4-oxidanylidene-4-(4-pyridin-4-ylpiperazin-1-yl)butanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-(2-methoxy-2-oxo-ethyl)-2-oxo-4-[4-oxo-4-[4-(4-pyridyl)piperazin-1-yl]butanoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[1,4-dioxo-4-(4-pyridin-4-yl-1-piperazinyl)butyl]-3-(2-methoxy-2-oxoethyl)-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[3-(2-methoxy-2-oxoethyl)-2-oxo-4-[4-oxo-4-(4-pyridin-4-ylpiperazin-1-yl)butanoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-(2-keto-2-methoxy-ethyl)-4-[4-keto-4-[4-(4-pyridyl)piperazino]butanoyl]piperazino]acetic acid Formula: C22H29N5O7 MolecularWeight: 475.49496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CCN1C(=O)CCC(=O)N2CCN(CC2)C3=CC=NC=C3)CC(=O)O

Isomeric SMILES

COC(=O)CC1C(=O)N(CCN1C(=O)CCC(=O)N2CCN(CC2)C3=CC=NC=C3)CC(=O)O

InChI

InChI=1S/C22H29N5O7/c1-34-21(32)14-17-22(33)26(15-20(30)31)12-13-27(17)19(29)3-2-18(28)25-10-8-24(9-11-25)16-4-6-23-7-5-16/h4-7,17H,2-3,8-15H2,1H3,(H,30,31)