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

Systemtic Name: (E)-3-[1-[1-(2-methylphenyl)pentyl]indol-5-yl]but-2-enoic acid Openeye Name: (E)-3-[1-[1-(o-tolyl)pentyl]indol-5-yl]but-2-enoic acid CAS Name: (E)-3-[1-[1-(2-methylphenyl)pentyl]-5-indolyl]-2-butenoic acid IUPAC Name: (E)-3-[1-[1-(2-methylphenyl)pentyl]indol-5-yl]but-2-enoic acid Traditional Name: (E)-3-[1-[1-(o-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=CC=C1C)N2C=CC3=C2C=CC(=C3)C(=CC(=O)O)C

Isomeric SMILES

CCCCC(C1=CC=CC=C1C)N2C=CC3=C2C=CC(=C3)/C(=C/C(=O)O)/C

InChI

InChI=1S/C24H27NO2/c1-4-5-10-23(21-9-7-6-8-17(21)2)25-14-13-20-16-19(11-12-22(20)25)18(3)15-24(26)27/h6-9,11-16,23H,4-5,10H2,1-3H3,(H,26,27)/b18-15+