methyl 4-chloranyl-2-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Openeye Name: methyl 4-chloro-2-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate CAS Name: 4-chloro-2-[[[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Traditional Name: 4-chloro-2-[[1-(3-fluorobenzyl)pyrrol-2-yl]methylcarbamoylamino]benzoic acid methyl ester Formula: C21H19ClFN3O3 MolecularWeight: 415.845263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)NCC2=CC=CN2CC3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)NCC2=CC=CN2CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H19ClFN3O3/c1-29-20(27)18-8-7-15(22)11-19(18)25-21(28)24-12-17-6-3-9-26(17)13-14-4-2-5-16(23)10-14/h2-11H,12-13H2,1H3,(H2,24,25,28)