methyl 3-(1-azanylisoquinolin-7-yl)-2-[1-[4-(6-oxidanylidene-1H-pyridin-3-yl)phenyl]carbonylpyrrolidin-2-yl]propanoate

Systemtic Name: methyl 3-(1-azanylisoquinolin-7-yl)-2-[1-[4-(6-oxidanylidene-1H-pyridin-3-yl)phenyl]carbonylpyrrolidin-2-yl]propanoate Openeye Name: methyl 3-(1-amino-7-isoquinolyl)-2-[1-[4-(6-oxo-1H-pyridin-3-yl)benzoyl]pyrrolidin-2-yl]propanoate CAS Name: 3-(1-amino-7-isoquinolinyl)-2-[1-[oxo-[4-(6-oxo-1H-pyridin-3-yl)phenyl]methyl]-2-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(1-aminoisoquinolin-7-yl)-2-[1-[4-(6-oxo-1H-pyridin-3-yl)benzoyl]pyrrolidin-2-yl]propanoate Traditional Name: 3-(1-amino-7-isoquinolyl)-2-[1-[4-(6-keto-1H-pyridin-3-yl)benzoyl]pyrrolidin-2-yl]propionic acid methyl ester Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1)C=CN=C2N)C3CCCN3C(=O)C4=CC=C(C=C4)C5=CNC(=O)C=C5

Isomeric SMILES

COC(=O)C(CC1=CC2=C(C=C1)C=CN=C2N)C3CCCN3C(=O)C4=CC=C(C=C4)C5=CNC(=O)C=C5

InChI

InChI=1S/C29H28N4O4/c1-37-29(36)24(16-18-4-5-20-12-13-31-27(30)23(20)15-18)25-3-2-14-33(25)28(35)21-8-6-19(7-9-21)22-10-11-26(34)32-17-22/h4-13,15,17,24-25H,2-3,14,16H2,1H3,(H2,30,31)(H,32,34)