2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoic acid

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoic acid Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetic acid CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetic acid IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetic acid Traditional Name: 2-[(1-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)NC2=CC3=C(C=C2)C(=NC=C3)N)OC(C)C

Isomeric SMILES

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

InChI

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