1-[[5-[(3-cyano-4-phenyl-phenyl)methoxy]-1-methyl-indol-2-yl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[5-[(3-cyano-4-phenyl-phenyl)methoxy]-1-methyl-indol-2-yl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[5-[(3-cyano-4-phenyl-phenyl)methoxy]-1-methyl-indol-2-yl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[5-[(3-cyano-4-phenylphenyl)methoxy]-1-methyl-2-indolyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[5-[(3-cyano-4-phenylphenyl)methoxy]-1-methylindol-2-yl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[[5-(3-cyano-4-phenyl-benzyl)oxy-1-methyl-indol-2-yl]methyl]azetidine-3-carboxylic acid Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N)C=C1CN5CC(C5)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N)C=C1CN5CC(C5)C(=O)O

InChI

InChI=1S/C28H25N3O3/c1-30-24(17-31-15-23(16-31)28(32)33)12-21-13-25(8-10-27(21)30)34-18-19-7-9-26(22(11-19)14-29)20-5-3-2-4-6-20/h2-13,23H,15-18H2,1H3,(H,32,33)