methyl 2-[5-[[4-(1-azanylisoquinolin-6-yl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate

Systemtic Name: methyl 2-[5-[[4-(1-azanylisoquinolin-6-yl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate Openeye Name: methyl 2-[5-[[4-(1-amino-6-isoquinolyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetate CAS Name: 2-[5-[[4-(1-amino-6-isoquinolinyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[[4-(1-aminoisoquinolin-6-yl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetate Traditional Name: 2-[5-[[4-(1-amino-6-isoquinolyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid methyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC(NC1=O)COC2=CC=C(C=C2)C3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

COC(=O)CC1CC(NC1=O)COC2=CC=C(C=C2)C3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C23H23N3O4/c1-29-21(27)12-17-11-18(26-23(17)28)13-30-19-5-2-14(3-6-19)15-4-7-20-16(10-15)8-9-25-22(20)24/h2-10,17-18H,11-13H2,1H3,(H2,24,25)(H,26,28)