2-[3-[4-(1-azanylisoquinolin-6-yl)phenyl]-1-methanoyl-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[3-[4-(1-azanylisoquinolin-6-yl)phenyl]-1-methanoyl-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[3-[4-(1-amino-6-isoquinolyl)phenyl]-1-formyl-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[3-[4-(1-amino-6-isoquinolinyl)phenyl]-1-formyl-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[4-(1-aminoisoquinolin-6-yl)phenyl]-1-formyl-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[3-[4-(1-amino-6-isoquinolyl)phenyl]-1-formyl-2-keto-pyrrolidin-3-yl]acetic acid Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1(CC(=O)O)C2=CC=C(C=C2)C3=CC4=C(C=C3)C(=NC=C4)N)C=O

Isomeric SMILES

C1CN(C(=O)C1(CC(=O)O)C2=CC=C(C=C2)C3=CC4=C(C=C3)C(=NC=C4)N)C=O

InChI

InChI=1S/C22H19N3O4/c23-20-18-6-3-15(11-16(18)7-9-24-20)14-1-4-17(5-2-14)22(12-19(27)28)8-10-25(13-26)21(22)29/h1-7,9,11,13H,8,10,12H2,(H2,23,24)(H,27,28)