methyl 3-[4-[2-hydroxyethyl(isoquinolin-6-ylcarbamoyl)amino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[2-hydroxyethyl(isoquinolin-6-ylcarbamoyl)amino]phenyl]propanoate Openeye Name: methyl 3-[4-[2-hydroxyethyl(6-isoquinolylcarbamoyl)amino]phenyl]propanoate CAS Name: 3-[4-[2-hydroxyethyl-[(6-isoquinolinylamino)-oxomethyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-hydroxyethyl(isoquinolin-6-ylcarbamoyl)amino]phenyl]propanoate Traditional Name: 3-[4-[2-hydroxyethyl(6-isoquinolylcarbamoyl)amino]phenyl]propionic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-29-21(27)9-4-16-2-7-20(8-3-16)25(12-13-26)22(28)24-19-6-5-18-15-23-11-10-17(18)14-19/h2-3,5-8,10-11,14-15,26H,4,9,12-13H2,1H3,(H,24,28)