2-[[5-(butylcarbamoyl)indol-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[5-(butylcarbamoyl)indol-1-yl]methyl]benzoic acid Openeye Name: 2-[[5-(butylcarbamoyl)indol-1-yl]methyl]benzoic acid CAS Name: 2-[[5-[butylamino(oxo)methyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 2-[[5-(butylcarbamoyl)indol-1-yl]methyl]benzoic acid Traditional Name: 2-[[5-(butylcarbamoyl)indol-1-yl]methyl]benzoic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H22N2O3/c1-2-3-11-22-20(24)16-8-9-19-15(13-16)10-12-23(19)14-17-6-4-5-7-18(17)21(25)26/h4-10,12-13H,2-3,11,14H2,1H3,(H,22,24)(H,25,26)