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

Systemtic Name: (E)-3-[1-(1-phenylpentyl)indol-5-yl]but-2-enoic acid Openeye Name: (E)-3-[1-(1-phenylpentyl)indol-5-yl]but-2-enoic acid CAS Name: (E)-3-[1-(1-phenylpentyl)-5-indolyl]-2-butenoic acid IUPAC Name: (E)-3-[1-(1-phenylpentyl)indol-5-yl]but-2-enoic acid Traditional Name: (E)-3-[1-(1-phenylpentyl)indol-5-yl]but-2-enoic acid Formula: C23H25NO2 MolecularWeight: 347.4501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO2/c1-3-4-10-21(18-8-6-5-7-9-18)24-14-13-20-16-19(11-12-22(20)24)17(2)15-23(25)26/h5-9,11-16,21H,3-4,10H2,1-2H3,(H,25,26)/b17-15+