9-[3-[[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]carbamoyl]-4-propan-2-yloxy-phenyl]non-8-ynoic acid

Systemtic Name: 9-[3-[[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]carbamoyl]-4-propan-2-yloxy-phenyl]non-8-ynoic acid Openeye Name: 9-[3-[[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]-4-isopropoxy-phenyl]non-8-ynoic acid CAS Name: 9-[3-[[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-oxomethyl]-4-propan-2-yloxyphenyl]-8-nonynoic acid IUPAC Name: 9-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-4-propan-2-yloxyphenyl]non-8-ynoic acid Traditional Name: 9-[3-[[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]carbamoyl]-4-isopropoxy-phenyl]non-8-ynoic acid Formula: C30H36N2O5 MolecularWeight: 504.61724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2O5/c1-21(2)37-28-16-15-22(11-7-5-3-4-6-8-14-29(34)35)17-26(28)30(36)32-24(20-33)18-23-19-31-27-13-10-9-12-25(23)27/h9-10,12-13,15-17,19,21,24,31,33H,3-6,8,14,18,20H2,1-2H3,(H,32,36)(H,34,35)/t24-/m1/s1