2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid

Systemtic Name: 2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid Openeye Name: 2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetic acid CAS Name: 2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(6-isoquinolinylamino)acetic acid IUPAC Name: 2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(isoquinolin-6-ylamino)acetic acid Traditional Name: 2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-4-27-20-12-16(6-8-19(20)28-14(2)3)21(22(25)26)24-18-7-5-17-13-23-10-9-15(17)11-18/h5-14,21,24H,4H2,1-3H3,(H,25,26)