methyl (2S)-2-[3-(2-hydroxyphenyl)propanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[3-(2-hydroxyphenyl)propanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[3-(2-hydroxyphenyl)propanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[3-(2-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(2-hydroxyphenyl)propanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[3-(2-hydroxyphenyl)propanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCC3=CC=CC=C3O

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CCC3=CC=CC=C3O

InChI

InChI=1S/C21H22N2O4/c1-27-21(26)18(12-15-13-22-17-8-4-3-7-16(15)17)23-20(25)11-10-14-6-2-5-9-19(14)24/h2-9,13,18,22,24H,10-12H2,1H3,(H,23,25)/t18-/m0/s1