(E)-3-[4-cyclohexyl-5-[2-(2-fluorophenyl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)pyrrol-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-cyclohexyl-5-[2-(2-fluorophenyl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)pyrrol-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-cyclohexyl-5-[2-(2-fluorophenyl)-6-quinolyl]-1-(2-morpholino-2-oxo-ethyl)pyrrol-2-yl]prop-2-enoic acid CAS Name: (E)-3-[4-cyclohexyl-5-[2-(2-fluorophenyl)-6-quinolinyl]-1-[2-(4-morpholinyl)-2-oxoethyl]-2-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[4-cyclohexyl-5-[2-(2-fluorophenyl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-cyclohexyl-5-[2-(2-fluorophenyl)-6-quinolyl]-1-(2-keto-2-morpholino-ethyl)pyrrol-2-yl]acrylic acid Formula: C34H34FN3O4 MolecularWeight: 567.649863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C(=C2)C=CC(=O)O)CC(=O)N3CCOCC3)C4=CC5=C(C=C4)N=C(C=C5)C6=CC=CC=C6F

Isomeric SMILES

C1CCC(CC1)C2=C(N(C(=C2)/C=C/C(=O)O)CC(=O)N3CCOCC3)C4=CC5=C(C=C4)N=C(C=C5)C6=CC=CC=C6F

InChI

InChI=1S/C34H34FN3O4/c35-29-9-5-4-8-27(29)31-14-10-24-20-25(11-13-30(24)36-31)34-28(23-6-2-1-3-7-23)21-26(12-15-33(40)41)38(34)22-32(39)37-16-18-42-19-17-37/h4-5,8-15,20-21,23H,1-3,6-7,16-19,22H2,(H,40,41)/b15-12+