methyl 6-[3-[[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]carbamoyl]-4-propan-2-yloxy-phenyl]hex-5-ynoate

Systemtic Name: methyl 6-[3-[[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]carbamoyl]-4-propan-2-yloxy-phenyl]hex-5-ynoate Openeye Name: methyl 6-[3-[[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]-4-isopropoxy-phenyl]hex-5-ynoate CAS Name: 6-[3-[[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-oxomethyl]-4-propan-2-yloxyphenyl]-5-hexynoic acid methyl ester IUPAC Name: methyl 6-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-4-propan-2-yloxyphenyl]hex-5-ynoate Traditional Name: 6-[3-[[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]carbamoyl]-4-isopropoxy-phenyl]hex-5-ynoic acid methyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O5/c1-19(2)35-26-14-13-20(9-5-4-6-12-27(32)34-3)15-24(26)28(33)30-22(18-31)16-21-17-29-25-11-8-7-10-23(21)25/h7-8,10-11,13-15,17,19,22,29,31H,4,6,12,16,18H2,1-3H3,(H,30,33)/t22-/m1/s1