1-(2-diethylaminoethyl)pyrrole-2-carbaldehyde; 2-oxidanyl-2-(2-oxidanylidene-2-pyridin-3-yloxy-ethyl)butanedioate

Systemtic Name: 1-(2-diethylaminoethyl)pyrrole-2-carbaldehyde; 2-oxidanyl-2-(2-oxidanylidene-2-pyridin-3-yloxy-ethyl)butanedioate Openeye Name: 1-(2-diethylaminoethyl)pyrrole-2-carbaldehyde; 2-hydroxy-2-[2-oxo-2-(3-pyridyloxy)ethyl]butanedioate CAS Name: 1-(2-diethylaminoethyl)-2-pyrrolecarboxaldehyde; 2-hydroxy-2-[2-oxo-2-(3-pyridinyloxy)ethyl]butanedioate IUPAC Name: 1-(2-diethylaminoethyl)pyrrole-2-carbaldehyde; 2-hydroxy-2-(2-oxo-2-pyridin-3-yloxyethyl)butanedioate Traditional Name: 1-(2-diethylaminoethyl)pyrrole-2-carbaldehyde; 2-hydroxy-2-[2-keto-2-(3-pyridyloxy)ethyl]succinate Formula: C22H27N3O8-2 MolecularWeight: 461.46508

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=CC=C1C=O.C1=CC(=CN=C1)OC(=O)CC(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCN1C=CC=C1C=O.C1=CC(=CN=C1)OC(=O)CC(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C11H18N2O.C11H11NO7/c1-3-12(4-2)8-9-13-7-5-6-11(13)10-14;13-8(14)4-11(18,10(16)17)5-9(15)19-7-2-1-3-12-6-7/h5-7,10H,3-4,8-9H2,1-2H3;1-3,6,18H,4-5H2,(H,13,14)(H,16,17)/p-2