4-[(E)-3-[2-(isoquinolin-5-ylmethylamino)ethylamino]-1-phenyl-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[2-(isoquinolin-5-ylmethylamino)ethylamino]-1-phenyl-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[2-(5-isoquinolylmethylamino)ethylamino]-1-phenyl-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[2-(5-isoquinolinylmethylamino)ethylamino]-1-phenylprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[2-(isoquinolin-5-ylmethylamino)ethylamino]-1-phenylprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[2-(5-isoquinolylmethylamino)ethylamino]-1-phenyl-prop-1-enyl]benzoic acid Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CCNCCNCC2=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\CNCCNCC2=CC=CC3=C2C=CN=C3)/C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C28H27N3O2/c32-28(33)23-11-9-22(10-12-23)26(21-5-2-1-3-6-21)13-15-29-17-18-31-20-25-8-4-7-24-19-30-16-14-27(24)25/h1-14,16,19,29,31H,15,17-18,20H2,(H,32,33)/b26-13+