1-[2-(dimethylamino)propyl]pyrrole-2-carbaldehyde; 2-oxidanyl-2-(2-oxidanylidene-2-phenoxy-ethyl)butanedioate

Systemtic Name: 1-[2-(dimethylamino)propyl]pyrrole-2-carbaldehyde; 2-oxidanyl-2-(2-oxidanylidene-2-phenoxy-ethyl)butanedioate Openeye Name: 1-[2-(dimethylamino)propyl]pyrrole-2-carbaldehyde; 2-hydroxy-2-(2-oxo-2-phenoxy-ethyl)butanedioate CAS Name: 1-[2-(dimethylamino)propyl]-2-pyrrolecarboxaldehyde; 2-hydroxy-2-(2-oxo-2-phenoxyethyl)butanedioate IUPAC Name: 1-[2-(dimethylamino)propyl]pyrrole-2-carbaldehyde; 2-hydroxy-2-(2-oxo-2-phenoxyethyl)butanedioate Traditional Name: 1-[2-(dimethylamino)propyl]pyrrole-2-carbaldehyde; 2-hydroxy-2-(2-keto-2-phenoxy-ethyl)succinate Formula: C22H26N2O8-2 MolecularWeight: 446.45044

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC=C1C=O)N(C)C.C1=CC=C(C=C1)OC(=O)CC(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(CN1C=CC=C1C=O)N(C)C.C1=CC=C(C=C1)OC(=O)CC(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C12H12O7.C10H16N2O/c13-9(14)6-12(18,11(16)17)7-10(15)19-8-4-2-1-3-5-8;1-9(11(2)3)7-12-6-4-5-10(12)8-13/h1-5,18H,6-7H2,(H,13,14)(H,16,17);4-6,8-9H,7H2,1-3H3/p-2