ethyl 2-[[2-(3-aminocarbonyl-4H-pyridin-1-yl)ethanoylamino]methyl]-3-(1H-indol-3-yl)propanoate

Systemtic Name: ethyl 2-[[2-(3-aminocarbonyl-4H-pyridin-1-yl)ethanoylamino]methyl]-3-(1H-indol-3-yl)propanoate Openeye Name: ethyl 2-[[[2-(3-carbamoyl-4H-pyridin-1-yl)acetyl]amino]methyl]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[2-(3-carbamoyl-4H-pyridin-1-yl)-1-oxoethyl]amino]methyl]-3-(1H-indol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[[2-(3-carbamoyl-4H-pyridin-1-yl)acetyl]amino]methyl]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[[2-(3-carbamoyl-4H-pyridin-1-yl)acetyl]amino]methyl]-3-(1H-indol-3-yl)propionic acid ethyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=CC=CC=C21)CNC(=O)CN3C=CCC(=C3)C(=O)N

Isomeric SMILES

CCOC(=O)C(CC1=CNC2=CC=CC=C21)CNC(=O)CN3C=CCC(=C3)C(=O)N

InChI

InChI=1S/C22H26N4O4/c1-2-30-22(29)17(10-16-11-24-19-8-4-3-7-18(16)19)12-25-20(27)14-26-9-5-6-15(13-26)21(23)28/h3-5,7-9,11,13,17,24H,2,6,10,12,14H2,1H3,(H2,23,28)(H,25,27)