N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-5-[5-(methylamino)-5-oxidanylidene-pent-1-ynyl]-2-propan-2-yloxy-benzamide

Systemtic Name: N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-5-[5-(methylamino)-5-oxidanylidene-pent-1-ynyl]-2-propan-2-yloxy-benzamide Openeye Name: N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-2-isopropoxy-5-[5-(methylamino)-5-oxo-pent-1-ynyl]benzamide CAS Name: N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[5-(methylamino)-5-oxopent-1-ynyl]-2-propan-2-yloxybenzamide IUPAC Name: N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[5-(methylamino)-5-oxopent-1-ynyl]-2-propan-2-yloxybenzamide Traditional Name: N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-2-isopropoxy-5-[5-keto-5-(methylamino)pent-1-ynyl]benzamide Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C#CCCC(=O)NC)C(=O)NC(CC2=CNC3=CC=CC=C32)CO

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C#CCCC(=O)NC)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)CO

InChI

InChI=1S/C27H31N3O4/c1-18(2)34-25-13-12-19(8-4-7-11-26(32)28-3)14-23(25)27(33)30-21(17-31)15-20-16-29-24-10-6-5-9-22(20)24/h5-6,9-10,12-14,16,18,21,29,31H,7,11,15,17H2,1-3H3,(H,28,32)(H,30,33)/t21-/m1/s1