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

Systemtic Name: 2-[[2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-oxoethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetyl]amino]-2-phenylacetic acid Traditional Name: 2-[[2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetyl]amino]-2-phenyl-acetic acid Formula: C30H32N4O5 MolecularWeight: 528.59888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NC(C2=CC=CC=C2)C(=O)O)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NC(C2=CC=CC=C2)C(=O)O)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

InChI

InChI=1S/C30H32N4O5/c1-4-38-25-17-21(10-13-24(25)39-18(2)3)26(29(35)34-27(30(36)37)19-8-6-5-7-9-19)33-22-11-12-23-20(16-22)14-15-32-28(23)31/h5-18,26-27,33H,4H2,1-3H3,(H2,31,32)(H,34,35)(H,36,37)