(E)-3-[4-[2-butoxy-3,5-di(propan-2-yl)phenyl]quinolin-6-yl]but-2-enoic acid

Systemtic Name: (E)-3-[4-[2-butoxy-3,5-di(propan-2-yl)phenyl]quinolin-6-yl]but-2-enoic acid Openeye Name: (E)-3-[4-(2-butoxy-3,5-diisopropyl-phenyl)-6-quinolyl]but-2-enoic acid CAS Name: (E)-3-[4-[2-butoxy-3,5-di(propan-2-yl)phenyl]-6-quinolinyl]-2-butenoic acid IUPAC Name: (E)-3-[4-[2-butoxy-3,5-di(propan-2-yl)phenyl]quinolin-6-yl]but-2-enoic acid Traditional Name: (E)-3-[4-(2-butoxy-3,5-diisopropyl-phenyl)-6-quinolyl]but-2-enoic acid Formula: C29H35NO3 MolecularWeight: 445.5931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C2=C3C=C(C=CC3=NC=C2)C(=CC(=O)O)C)C(C)C)C(C)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1C2=C3C=C(C=CC3=NC=C2)/C(=C/C(=O)O)/C)C(C)C)C(C)C

InChI

InChI=1S/C29H35NO3/c1-7-8-13-33-29-24(19(4)5)16-22(18(2)3)17-26(29)23-11-12-30-27-10-9-21(15-25(23)27)20(6)14-28(31)32/h9-12,14-19H,7-8,13H2,1-6H3,(H,31,32)/b20-14+