[1-[5-(3-cyanoisoquinolin-6-yl)pyridin-3-yl]oxy-3-(1H-indol-3-yl)propan-2-yl]carbamic acid

Systemtic Name: [1-[5-(3-cyanoisoquinolin-6-yl)pyridin-3-yl]oxy-3-(1H-indol-3-yl)propan-2-yl]carbamic acid Openeye Name: [1-[[5-(3-cyano-6-isoquinolyl)-3-pyridyl]oxymethyl]-2-(1H-indol-3-yl)ethyl]carbamic acid CAS Name: [1-[[5-(3-cyano-6-isoquinolinyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamic acid IUPAC Name: [1-[5-(3-cyanoisoquinolin-6-yl)pyridin-3-yl]oxy-3-(1H-indol-3-yl)propan-2-yl]carbamic acid Traditional Name: [1-[[5-(3-cyano-6-isoquinolyl)-3-pyridyl]oxymethyl]-2-(1H-indol-3-yl)ethyl]carbamic acid Formula: C27H21N5O3 MolecularWeight: 463.48734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CN=CC(=C3)C4=CC5=C(C=C4)C=NC(=C5)C#N)NC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CN=CC(=C3)C4=CC5=C(C=C4)C=NC(=C5)C#N)NC(=O)O

InChI

InChI=1S/C27H21N5O3/c28-11-22-8-19-7-17(5-6-18(19)13-30-22)20-10-24(15-29-12-20)35-16-23(32-27(33)34)9-21-14-31-26-4-2-1-3-25(21)26/h1-8,10,12-15,23,31-32H,9,16H2,(H,33,34)