(2R)-2-[2-(2,3-dimethylphenoxy)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2R)-2-[2-(2,3-dimethylphenoxy)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2R)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[2-(2,3-dimethylphenoxy)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2R)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propionate Formula: C21H21N2O4- MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])C

InChI

InChI=1S/C21H22N2O4/c1-13-6-5-9-19(14(13)2)27-12-20(24)23-18(21(25)26)10-15-11-22-17-8-4-3-7-16(15)17/h3-9,11,18,22H,10,12H2,1-2H3,(H,23,24)(H,25,26)/p-1/t18-/m1/s1