methyl 2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoate

Systemtic Name: methyl 2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoate Openeye Name: methyl 2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetate CAS Name: 2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(6-isoquinolinylamino)acetic acid methyl ester IUPAC Name: methyl 2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(isoquinolin-6-ylamino)acetate Traditional Name: 2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetic acid methyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)OC)NC2=CC3=C(C=C2)C=NC=C3)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)OC)NC2=CC3=C(C=C2)C=NC=C3)OC(C)C

InChI

InChI=1S/C23H26N2O4/c1-5-28-21-13-17(7-9-20(21)29-15(2)3)22(23(26)27-4)25-19-8-6-18-14-24-11-10-16(18)12-19/h6-15,22,25H,5H2,1-4H3