ethyl (2S)-2-[[1-(1H-indol-3-ylmethyl)piperidin-4-yl]carbonylamino]propanoate hydrochloride

Systemtic Name: ethyl (2S)-2-[[1-(1H-indol-3-ylmethyl)piperidin-4-yl]carbonylamino]propanoate hydrochloride Openeye Name: ethyl (2S)-2-[[1-(1H-indol-3-ylmethyl)piperidine-4-carbonyl]amino]propanoate hydrochloride CAS Name: (2S)-2-[[[1-(1H-indol-3-ylmethyl)-4-piperidinyl]-oxomethyl]amino]propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl (2S)-2-[[1-(1H-indol-3-ylmethyl)piperidine-4-carbonyl]amino]propanoate hydrochloride Traditional Name: (2S)-2-[[1-(1H-indol-3-ylmethyl)isonipecotoyl]amino]propionic acid ethyl ester hydrochloride Formula: C20H28ClN3O3 MolecularWeight: 393.90762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C1CCN(CC1)CC2=CNC3=CC=CC=C32.Cl

Isomeric SMILES

CCOC(=O)[C@H](C)NC(=O)C1CCN(CC1)CC2=CNC3=CC=CC=C32.Cl

InChI

InChI=1S/C20H27N3O3.ClH/c1-3-26-20(25)14(2)22-19(24)15-8-10-23(11-9-15)13-16-12-21-18-7-5-4-6-17(16)18;/h4-7,12,14-15,21H,3,8-11,13H2,1-2H3,(H,22,24);1H/t14-;/m0./s1