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

Systemtic Name: (E)-3-[1-[(4-butylphenyl)methyl]indol-5-yl]but-2-enoic acid Openeye Name: (E)-3-[1-[(4-butylphenyl)methyl]indol-5-yl]but-2-enoic acid CAS Name: (E)-3-[1-[(4-butylphenyl)methyl]-5-indolyl]-2-butenoic acid IUPAC Name: (E)-3-[1-[(4-butylphenyl)methyl]indol-5-yl]but-2-enoic acid Traditional Name: (E)-3-[1-(4-butylbenzyl)indol-5-yl]but-2-enoic acid Formula: C23H25NO2 MolecularWeight: 347.4501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)C(=CC(=O)O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)/C(=C/C(=O)O)/C

InChI

InChI=1S/C23H25NO2/c1-3-4-5-18-6-8-19(9-7-18)16-24-13-12-21-15-20(10-11-22(21)24)17(2)14-23(25)26/h6-15H,3-5,16H2,1-2H3,(H,25,26)/b17-14+