2-[4-[(2-butylindol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butylindol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butylindol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-1-indolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butylindol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butylindol-1-yl)methyl]phenyl]benzoic acid Formula: C26H25NO2 MolecularWeight: 383.4822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H25NO2/c1-2-3-9-22-17-21-8-4-7-12-25(21)27(22)18-19-13-15-20(16-14-19)23-10-5-6-11-24(23)26(28)29/h4-8,10-17H,2-3,9,18H2,1H3,(H,28,29)