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

Systemtic Name: methyl 3-[4-[2,2-diethoxyethyl(isoquinolin-6-ylcarbamoyl)amino]phenyl]propanoate Openeye Name: methyl 3-[4-[2,2-diethoxyethyl(6-isoquinolylcarbamoyl)amino]phenyl]propanoate CAS Name: 3-[4-[2,2-diethoxyethyl-[(6-isoquinolinylamino)-oxomethyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2,2-diethoxyethyl(isoquinolin-6-ylcarbamoyl)amino]phenyl]propanoate Traditional Name: 3-[4-[2,2-diethoxyethyl(6-isoquinolylcarbamoyl)amino]phenyl]propionic acid methyl ester Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(C1=CC=C(C=C1)CCC(=O)OC)C(=O)NC2=CC3=C(C=C2)C=NC=C3)OCC

Isomeric SMILES

CCOC(CN(C1=CC=C(C=C1)CCC(=O)OC)C(=O)NC2=CC3=C(C=C2)C=NC=C3)OCC

InChI

InChI=1S/C26H31N3O5/c1-4-33-25(34-5-2)18-29(23-11-6-19(7-12-23)8-13-24(30)32-3)26(31)28-22-10-9-21-17-27-15-14-20(21)16-22/h6-7,9-12,14-17,25H,4-5,8,13,18H2,1-3H3,(H,28,31)