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

Systemtic Name: 7-(4-tert-butylphenyl)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide Openeye Name: 7-(4-tert-butylphenyl)-N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide CAS Name: 7-(4-tert-butylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-5-carboxamide IUPAC Name: 7-(4-tert-butylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide Traditional Name: 7-(4-tert-butylphenyl)-N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-2,3-dihydro-1,4-benzodioxin-5-carboxamide Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C3C(=C2)OCCO3)C(=O)NC(CC4=CNC5=CC=CC=C54)CO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C3C(=C2)OCCO3)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)CO

InChI

InChI=1S/C30H32N2O4/c1-30(2,3)22-10-8-19(9-11-22)20-15-25(28-27(16-20)35-12-13-36-28)29(34)32-23(18-33)14-21-17-31-26-7-5-4-6-24(21)26/h4-11,15-17,23,31,33H,12-14,18H2,1-3H3,(H,32,34)/t23-/m1/s1