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

Systemtic Name: ethyl 3-[4-(furan-2-ylmethyl)-2-[(phenylmethyl)carbamoyl]piperazin-1-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[2-(benzylcarbamoyl)-4-(2-furylmethyl)piperazin-1-yl]-3-oxo-propanoate CAS Name: 3-[4-(2-furanylmethyl)-2-[oxo-[(phenylmethyl)amino]methyl]-1-piperazinyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(benzylcarbamoyl)-4-(furan-2-ylmethyl)piperazin-1-yl]-3-oxopropanoate Traditional Name: 3-[2-(benzylcarbamoyl)-4-(2-furfuryl)piperazino]-3-keto-propionic acid ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N1CCN(CC1C(=O)NCC2=CC=CC=C2)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)CC(=O)N1CCN(CC1C(=O)NCC2=CC=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C22H27N3O5/c1-2-29-21(27)13-20(26)25-11-10-24(15-18-9-6-12-30-18)16-19(25)22(28)23-14-17-7-4-3-5-8-17/h3-9,12,19H,2,10-11,13-16H2,1H3,(H,23,28)