3-[2-azanyl-3-(1H-indol-3-yl)propoxy]-5-isoquinolin-6-yl-benzoic acid

Systemtic Name: 3-[2-azanyl-3-(1H-indol-3-yl)propoxy]-5-isoquinolin-6-yl-benzoic acid Openeye Name: 3-[2-amino-3-(1H-indol-3-yl)propoxy]-5-(6-isoquinolyl)benzoic acid CAS Name: 3-[2-amino-3-(1H-indol-3-yl)propoxy]-5-(6-isoquinolinyl)benzoic acid IUPAC Name: 3-[2-amino-3-(1H-indol-3-yl)propoxy]-5-isoquinolin-6-ylbenzoic acid Traditional Name: 3-[2-amino-3-(1H-indol-3-yl)propoxy]-5-(6-isoquinolyl)benzoic acid Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O3/c28-23(11-22-15-30-26-4-2-1-3-25(22)26)16-33-24-12-20(10-21(13-24)27(31)32)17-5-6-19-14-29-8-7-18(19)9-17/h1-10,12-15,23,30H,11,16,28H2,(H,31,32)