2-[[1-[(E)-3-[2,5-bis(fluoranyl)phenyl]prop-2-enyl]pyrrolidin-3-yl]-[2-(3-fluoranyl-6-methoxy-quinolin-4-yl)ethyl]amino]ethanoic acid

Systemtic Name: 2-[[1-[(E)-3-[2,5-bis(fluoranyl)phenyl]prop-2-enyl]pyrrolidin-3-yl]-[2-(3-fluoranyl-6-methoxy-quinolin-4-yl)ethyl]amino]ethanoic acid Openeye Name: 2-[[1-[(E)-3-(2,5-difluorophenyl)allyl]pyrrolidin-3-yl]-[2-(3-fluoro-6-methoxy-4-quinolyl)ethyl]amino]acetic acid CAS Name: 2-[[1-[(E)-3-(2,5-difluorophenyl)prop-2-enyl]-3-pyrrolidinyl]-[2-(3-fluoro-6-methoxy-4-quinolinyl)ethyl]amino]acetic acid IUPAC Name: 2-[[1-[(E)-3-(2,5-difluorophenyl)prop-2-enyl]pyrrolidin-3-yl]-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]amino]acetic acid Traditional Name: 2-[[1-[(E)-3-(2,5-difluorophenyl)allyl]pyrrolidin-3-yl]-[2-(3-fluoro-6-methoxy-4-quinolyl)ethyl]amino]acetic acid Formula: C27H28F3N3O3 MolecularWeight: 499.52473

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCN(CC(=O)O)C3CCN(C3)CC=CC4=C(C=CC(=C4)F)F

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCN(CC(=O)O)C3CCN(C3)C/C=C/C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C27H28F3N3O3/c1-36-21-5-7-26-23(14-21)22(25(30)15-31-26)9-12-33(17-27(34)35)20-8-11-32(16-20)10-2-3-18-13-19(28)4-6-24(18)29/h2-7,13-15,20H,8-12,16-17H2,1H3,(H,34,35)/b3-2+