ethyl 3-[4-(2-ethoxy-2-oxidanylidene-ethyl)-2-[(phenylmethyl)carbamoyl]piperazin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[4-(2-ethoxy-2-oxidanylidene-ethyl)-2-[(phenylmethyl)carbamoyl]piperazin-1-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[2-(benzylcarbamoyl)-4-(2-ethoxy-2-oxo-ethyl)piperazin-1-yl]-3-oxo-propanoate CAS Name: 3-[4-(2-ethoxy-2-oxoethyl)-2-[oxo-[(phenylmethyl)amino]methyl]-1-piperazinyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(benzylcarbamoyl)-4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]-3-oxopropanoate Traditional Name: 3-[2-(benzylcarbamoyl)-4-(2-ethoxy-2-keto-ethyl)piperazino]-3-keto-propionic acid ethyl ester Formula: C21H29N3O6 MolecularWeight: 419.47146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N1CCN(CC1C(=O)NCC2=CC=CC=C2)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CC(=O)N1CCN(CC1C(=O)NCC2=CC=CC=C2)CC(=O)OCC

InChI

InChI=1S/C21H29N3O6/c1-3-29-19(26)12-18(25)24-11-10-23(15-20(27)30-4-2)14-17(24)21(28)22-13-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,22,28)