4-[3-[(2,2-diphenyl-1,3-benzodioxol-5-yl)carbonyl]indol-1-yl]butanoic acid

Systemtic Name: 4-[3-[(2,2-diphenyl-1,3-benzodioxol-5-yl)carbonyl]indol-1-yl]butanoic acid Openeye Name: 4-[3-(2,2-diphenyl-1,3-benzodioxole-5-carbonyl)indol-1-yl]butanoic acid CAS Name: 4-[3-[(2,2-diphenyl-1,3-benzodioxol-5-yl)-oxomethyl]-1-indolyl]butanoic acid IUPAC Name: 4-[3-(2,2-diphenyl-1,3-benzodioxole-5-carbonyl)indol-1-yl]butanoic acid Traditional Name: 4-[3-(2,2-diphenylpiperonyloyl)indol-1-yl]butyric acid Formula: C32H25NO5 MolecularWeight: 503.5446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(OC3=C(O2)C=C(C=C3)C(=O)C4=CN(C5=CC=CC=C54)CCCC(=O)O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2(OC3=C(O2)C=C(C=C3)C(=O)C4=CN(C5=CC=CC=C54)CCCC(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C32H25NO5/c34-30(35)16-9-19-33-21-26(25-14-7-8-15-27(25)33)31(36)22-17-18-28-29(20-22)38-32(37-28,23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-8,10-15,17-18,20-21H,9,16,19H2,(H,34,35)