[2-(isoquinolin-5-ylcarbamoylamino)-3-(3-methylphenoxy)propyl] ethanoate

Systemtic Name: [2-(isoquinolin-5-ylcarbamoylamino)-3-(3-methylphenoxy)propyl] ethanoate Openeye Name: [2-(5-isoquinolylcarbamoylamino)-3-(3-methylphenoxy)propyl] acetate CAS Name: acetic acid [2-[[(5-isoquinolinylamino)-oxomethyl]amino]-3-(3-methylphenoxy)propyl] ester IUPAC Name: [2-(isoquinolin-5-ylcarbamoylamino)-3-(3-methylphenoxy)propyl] acetate Traditional Name: acetic acid [2-(5-isoquinolylcarbamoylamino)-3-(3-methylphenoxy)propyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(COC(=O)C)NC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(COC(=O)C)NC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H23N3O4/c1-15-5-3-7-19(11-15)29-14-18(13-28-16(2)26)24-22(27)25-21-8-4-6-17-12-23-10-9-20(17)21/h3-12,18H,13-14H2,1-2H3,(H2,24,25,27)