2-[2-methyl-1-[4-[(E)-4-phenylbut-3-enoxy]phenyl]carbonyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-[4-[(E)-4-phenylbut-3-enoxy]phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-[(E)-4-phenylbut-3-enoxy]benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-[4-[(E)-4-phenylbut-3-enoxy]phenyl]methyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-[(E)-4-phenylbut-3-enoxy]benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-[(E)-4-phenylbut-3-enoxy]benzoyl]indol-4-yl]acetic acid Formula: C28H25NO4 MolecularWeight: 439.5024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCC=CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC/C=C/C4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C28H25NO4/c1-20-18-25-23(19-27(30)31)11-7-12-26(25)29(20)28(32)22-13-15-24(16-14-22)33-17-6-5-10-21-8-3-2-4-9-21/h2-5,7-16,18H,6,17,19H2,1H3,(H,30,31)/b10-5+