ethyl 2-[[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-pentyl-carbamoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-pentyl-carbamoyl]amino]ethanoate Openeye Name: ethyl 2-[[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-pentyl-carbamoyl]amino]acetate CAS Name: 2-[[[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl-pentylamino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-pentylcarbamoyl]amino]acetate Traditional Name: 2-[[amyl-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]carbamoyl]amino]acetic acid ethyl ester Formula: C22H30FN3O3 MolecularWeight: 403.490303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)NCC(=O)OCC

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)NCC(=O)OCC

InChI

InChI=1S/C22H30FN3O3/c1-3-5-6-12-26(22(28)24-15-21(27)29-4-2)17-20-11-8-13-25(20)16-18-9-7-10-19(23)14-18/h7-11,13-14H,3-6,12,15-17H2,1-2H3,(H,24,28)