methyl (2R)-2-[2-(4-cyano-2-methoxy-phenoxy)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[2-(4-cyano-2-methoxy-phenoxy)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[2-(4-cyano-2-methoxy-phenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[2-(4-cyano-2-methoxyphenoxy)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[2-(4-cyano-2-methoxy-phenoxy)acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C22H21N3O5/c1-28-20-9-14(11-23)7-8-19(20)30-13-21(26)25-18(22(27)29-2)10-15-12-24-17-6-4-3-5-16(15)17/h3-9,12,18,24H,10,13H2,1-2H3,(H,25,26)/t18-/m1/s1