ethyl 4-[5-[[(3-fluorophenyl)methyl-propan-2-yl-amino]methyl]furan-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[[(3-fluorophenyl)methyl-propan-2-yl-amino]methyl]furan-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-[[(3-fluorophenyl)methyl-isopropyl-amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]-2-furanyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-[[(3-fluorobenzyl)-isopropyl-amino]methyl]-2-furoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H30FN3O4 MolecularWeight: 431.500403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)CN(CC3=CC(=CC=C3)F)C(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)CN(CC3=CC(=CC=C3)F)C(C)C

InChI

InChI=1S/C23H30FN3O4/c1-4-30-23(29)26-12-10-25(11-13-26)22(28)21-9-8-20(31-21)16-27(17(2)3)15-18-6-5-7-19(24)14-18/h5-9,14,17H,4,10-13,15-16H2,1-3H3