ethyl 2-[[4-(phenylmethyl)-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-(phenylmethyl)-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-benzyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]amino]acetate CAS Name: 2-[[oxo-[2-[oxo(1-pyrrolidinyl)methyl]-4-(phenylmethyl)-1-piperazinyl]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-benzyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]amino]acetate Traditional Name: 2-[[4-benzyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]amino]acetic acid ethyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCN(CC1C(=O)N2CCCC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCN(CC1C(=O)N2CCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O4/c1-2-29-19(26)14-22-21(28)25-13-12-23(15-17-8-4-3-5-9-17)16-18(25)20(27)24-10-6-7-11-24/h3-5,8-9,18H,2,6-7,10-16H2,1H3,(H,22,28)