methyl 3-[4-(isoquinolin-6-ylcarbamoyl)phenyl]propanoate

Systemtic Name: methyl 3-[4-(isoquinolin-6-ylcarbamoyl)phenyl]propanoate Openeye Name: methyl 3-[4-(6-isoquinolylcarbamoyl)phenyl]propanoate CAS Name: 3-[4-[(6-isoquinolinylamino)-oxomethyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(isoquinolin-6-ylcarbamoyl)phenyl]propanoate Traditional Name: 3-[4-(6-isoquinolylcarbamoyl)phenyl]propionic acid methyl ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C=NC=C3

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C=NC=C3

InChI

InChI=1S/C20H18N2O3/c1-25-19(23)9-4-14-2-5-15(6-3-14)20(24)22-18-8-7-17-13-21-11-10-16(17)12-18/h2-3,5-8,10-13H,4,9H2,1H3,(H,22,24)