5-(4-cyanophenyl)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: 5-(4-cyanophenyl)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: 5-(4-cyanophenyl)-N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-2,3-dihydrobenzofuran-7-carboxamide CAS Name: 5-(4-cyanophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: 5-(4-cyanophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: 5-(4-cyanophenyl)-N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]coumaran-7-carboxamide Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C21)C3=CC=C(C=C3)C#N)C(=O)NC(CC4=CNC5=CC=CC=C54)CO

Isomeric SMILES

C1COC2=C(C=C(C=C21)C3=CC=C(C=C3)C#N)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)CO

InChI

InChI=1S/C27H23N3O3/c28-14-17-5-7-18(8-6-17)20-11-19-9-10-33-26(19)24(13-20)27(32)30-22(16-31)12-21-15-29-25-4-2-1-3-23(21)25/h1-8,11,13,15,22,29,31H,9-10,12,16H2,(H,30,32)/t22-/m1/s1