4-butoxy-3-[(E)-3-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-butoxy-3-[(E)-3-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-butoxy-3-[(E)-3-[4-(2-quinolylmethoxy)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-butoxy-3-[(E)-1-oxo-3-[4-(2-quinolinylmethoxy)phenyl]prop-2-enyl]benzoic acid IUPAC Name: 4-butoxy-3-[(E)-3-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-butoxy-3-[(E)-3-[4-(2-quinolylmethoxy)phenyl]acryloyl]benzoic acid Formula: C30H27NO5 MolecularWeight: 481.53908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)O)C(=O)C=CC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)O)C(=O)/C=C/C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H27NO5/c1-2-3-18-35-29-17-12-23(30(33)34)19-26(29)28(32)16-10-21-8-14-25(15-9-21)36-20-24-13-11-22-6-4-5-7-27(22)31-24/h4-17,19H,2-3,18,20H2,1H3,(H,33,34)/b16-10+