(phenylmethyl) N-[(2S)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[4-(2-furylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[4-(2-furanylmethyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[4-(2-furfuryl)piperazine-1-carbonyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC2=CC=CO2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)CC2=CC=CO2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4/c1-17(2)20(23-22(27)29-16-18-7-4-3-5-8-18)21(26)25-12-10-24(11-13-25)15-19-9-6-14-28-19/h3-9,14,17,20H,10-13,15-16H2,1-2H3,(H,23,27)/t20-/m0/s1