(E)-4-oxidanylidene-4-[(4-pyrrolidin-1-ylphenoxy)methoxy]but-2-enoic acid; piperidine

Systemtic Name: (E)-4-oxidanylidene-4-[(4-pyrrolidin-1-ylphenoxy)methoxy]but-2-enoic acid; piperidine Openeye Name: (E)-4-oxo-4-[(4-pyrrolidin-1-ylphenoxy)methoxy]but-2-enoic acid; piperidine CAS Name: (E)-4-oxo-4-[[4-(1-pyrrolidinyl)phenoxy]methoxy]-2-butenoic acid; piperidine IUPAC Name: (E)-4-oxo-4-[(4-pyrrolidin-1-ylphenoxy)methoxy]but-2-enoic acid; piperidine Traditional Name: (E)-4-keto-4-[(4-pyrrolidinophenoxy)methoxy]but-2-enoic acid; piperidine Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNCC1.C1CCN(C1)C2=CC=C(C=C2)OCOC(=O)C=CC(=O)O

Isomeric SMILES

C1CCNCC1.C1CCN(C1)C2=CC=C(C=C2)OCOC(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H17NO5.C5H11N/c17-14(18)7-8-15(19)21-11-20-13-5-3-12(4-6-13)16-9-1-2-10-16;1-2-4-6-5-3-1/h3-8H,1-2,9-11H2,(H,17,18);6H,1-5H2/b8-7+;