(E)-3-[1-(3-methyl-1-phenyl-butyl)indol-5-yl]but-2-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO2/c1-16(2)13-22(18-7-5-4-6-8-18)24-12-11-20-15-19(9-10-21(20)24)17(3)14-23(25)26/h4-12,14-16,22H,13H2,1-3H3,(H,25,26)/b17-14+