ethyl 4-[[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-pentyl-carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-pentyl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-pentyl-carbamoyl]amino]benzoate CAS Name: 4-[[[[1-[(4-fluorophenyl)methyl]-2-pyrrolyl]methyl-pentylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-pentylcarbamoyl]amino]benzoate Traditional Name: 4-[[amyl-[[1-(4-fluorobenzyl)pyrrol-2-yl]methyl]carbamoyl]amino]benzoic acid ethyl ester Formula: C27H32FN3O3 MolecularWeight: 465.559683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C27H32FN3O3/c1-3-5-6-17-31(27(33)29-24-15-11-22(12-16-24)26(32)34-4-2)20-25-8-7-18-30(25)19-21-9-13-23(28)14-10-21/h7-16,18H,3-6,17,19-20H2,1-2H3,(H,29,33)