2-[azanyl(isoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoic acid

Systemtic Name: 2-[azanyl(isoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoic acid Openeye Name: 2-[amino(6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetic acid CAS Name: 2-[amino(6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetic acid IUPAC Name: 2-[amino(isoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetic acid Traditional Name: 2-[amino(6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-4-28-20-12-16(6-8-19(20)29-14(2)3)21(22(26)27)25(23)18-7-5-17-13-24-10-9-15(17)11-18/h5-14,21H,4,23H2,1-3H3,(H,26,27)