(E)-3-[1-[1-(4-methylphenyl)pentyl]indol-5-yl]but-2-enoic acid

Systemtic Name: (E)-3-[1-[1-(4-methylphenyl)pentyl]indol-5-yl]but-2-enoic acid Openeye Name: (E)-3-[1-[1-(p-tolyl)pentyl]indol-5-yl]but-2-enoic acid CAS Name: (E)-3-[1-[1-(4-methylphenyl)pentyl]-5-indolyl]-2-butenoic acid IUPAC Name: (E)-3-[1-[1-(4-methylphenyl)pentyl]indol-5-yl]but-2-enoic acid Traditional Name: (E)-3-[1-[1-(p-tolyl)pentyl]indol-5-yl]but-2-enoic acid Formula: C24H27NO2 MolecularWeight: 361.47668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)C)N2C=CC3=C2C=CC(=C3)C(=CC(=O)O)C

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)C)N2C=CC3=C2C=CC(=C3)/C(=C/C(=O)O)/C

InChI

InChI=1S/C24H27NO2/c1-4-5-6-22(19-9-7-17(2)8-10-19)25-14-13-21-16-20(11-12-23(21)25)18(3)15-24(26)27/h7-16,22H,4-6H2,1-3H3,(H,26,27)/b18-15+