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

Systemtic Name: ethyl 4-[[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[allyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]carbamoyl]amino]benzoate CAS Name: 4-[[[[1-[(4-fluorophenyl)methyl]-2-pyrrolyl]methyl-prop-2-enylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylcarbamoyl]amino]benzoate Traditional Name: 4-[[allyl-[[1-(4-fluorobenzyl)pyrrol-2-yl]methyl]carbamoyl]amino]benzoic acid ethyl ester Formula: C25H26FN3O3 MolecularWeight: 435.490643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC=C)CC2=CC=CN2CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC=C)CC2=CC=CN2CC3=CC=C(C=C3)F

InChI

InChI=1S/C25H26FN3O3/c1-3-15-29(25(31)27-22-13-9-20(10-14-22)24(30)32-4-2)18-23-6-5-16-28(23)17-19-7-11-21(26)12-8-19/h3,5-14,16H,1,4,15,17-18H2,2H3,(H,27,31)