isoquinoline; (E)-4-oxidanylidene-4-[(3-oxidanylidenepyrrolidin-1-yl)methoxy]but-2-enoic acid

Systemtic Name: isoquinoline; (E)-4-oxidanylidene-4-[(3-oxidanylidenepyrrolidin-1-yl)methoxy]but-2-enoic acid Openeye Name: isoquinoline; (E)-4-oxo-4-[(3-oxopyrrolidin-1-yl)methoxy]but-2-enoic acid CAS Name: isoquinoline; (E)-4-oxo-4-[(3-oxo-1-pyrrolidinyl)methoxy]-2-butenoic acid IUPAC Name: isoquinoline; (E)-4-oxo-4-[(3-oxopyrrolidin-1-yl)methoxy]but-2-enoic acid Traditional Name: isoquinoline; (E)-4-keto-4-[(3-ketopyrrolidino)methoxy]but-2-enoic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1=O)COC(=O)C=CC(=O)O.C1=CC=C2C=NC=CC2=C1

Isomeric SMILES

C1CN(CC1=O)COC(=O)/C=C/C(=O)O.C1=CC=C2C=NC=CC2=C1

InChI

InChI=1S/C9H11NO5.C9H7N/c11-7-3-4-10(5-7)6-15-9(14)2-1-8(12)13;1-2-4-9-7-10-6-5-8(9)3-1/h1-2H,3-6H2,(H,12,13);1-7H/b2-1+;