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

Systemtic Name: 2-[[bis(2,2-dimethylpropanoyl)amino]-isoquinolin-6-yl-amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoic acid Openeye Name: 2-[[bis(2,2-dimethylpropanoyl)amino]-(6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetic acid CAS Name: 2-[[bis(2,2-dimethyl-1-oxopropyl)amino]-(6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetic acid IUPAC Name: 2-[[bis(2,2-dimethylpropanoyl)amino]-isoquinolin-6-ylamino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetic acid Traditional Name: 2-[(dipivaloylamino)-(6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetic acid Formula: C32H41N3O6 MolecularWeight: 563.68444

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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(C(=O)C(C)(C)C)C(=O)C(C)(C)C)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C32H41N3O6/c1-10-40-26-18-22(12-14-25(26)41-20(2)3)27(28(36)37)34(24-13-11-23-19-33-16-15-21(23)17-24)35(29(38)31(4,5)6)30(39)32(7,8)9/h11-20,27H,10H2,1-9H3,(H,36,37)