3-[4-[(3-ethylisoquinolin-1-yl)amino]phenyl]-2-[(2-ethyl-3-oxidanylidene-cyclopenten-1-yl)amino]propanoic acid

Systemtic Name: 3-[4-[(3-ethylisoquinolin-1-yl)amino]phenyl]-2-[(2-ethyl-3-oxidanylidene-cyclopenten-1-yl)amino]propanoic acid Openeye Name: 3-[4-[(3-ethyl-1-isoquinolyl)amino]phenyl]-2-[(2-ethyl-3-oxo-cyclopenten-1-yl)amino]propanoic acid CAS Name: 3-[4-[(3-ethyl-1-isoquinolinyl)amino]phenyl]-2-[(2-ethyl-3-oxo-1-cyclopentenyl)amino]propanoic acid IUPAC Name: 3-[4-[(3-ethylisoquinolin-1-yl)amino]phenyl]-2-[(2-ethyl-3-oxocyclopenten-1-yl)amino]propanoic acid Traditional Name: 3-[4-[(3-ethyl-1-isoquinolyl)amino]phenyl]-2-[(2-ethyl-3-keto-cyclopenten-1-yl)amino]propionic acid Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)CC(C(=O)O)NC4=C(C(=O)CC4)CC

Isomeric SMILES

CCC1=CC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)CC(C(=O)O)NC4=C(C(=O)CC4)CC

InChI

InChI=1S/C27H29N3O3/c1-3-19-16-18-7-5-6-8-22(18)26(28-19)29-20-11-9-17(10-12-20)15-24(27(32)33)30-23-13-14-25(31)21(23)4-2/h5-12,16,24,30H,3-4,13-15H2,1-2H3,(H,28,29)(H,32,33)