methyl 3-[[5-[(3-fluorophenyl)methylcarbamoyl]-2-pyrrolidin-1-yl-phenyl]carbamoylamino]benzoate

Systemtic Name: methyl 3-[[5-[(3-fluorophenyl)methylcarbamoyl]-2-pyrrolidin-1-yl-phenyl]carbamoylamino]benzoate Openeye Name: methyl 3-[[5-[(3-fluorophenyl)methylcarbamoyl]-2-pyrrolidin-1-yl-phenyl]carbamoylamino]benzoate CAS Name: 3-[[[5-[[(3-fluorophenyl)methylamino]-oxomethyl]-2-(1-pyrrolidinyl)anilino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-[(3-fluorophenyl)methylcarbamoyl]-2-pyrrolidin-1-ylphenyl]carbamoylamino]benzoate Traditional Name: 3-[[5-[(3-fluorobenzyl)carbamoyl]-2-pyrrolidino-phenyl]carbamoylamino]benzoic acid methyl ester Formula: C27H27FN4O4 MolecularWeight: 490.526083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)NCC3=CC(=CC=C3)F)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)NCC3=CC(=CC=C3)F)N4CCCC4

InChI

InChI=1S/C27H27FN4O4/c1-36-26(34)20-7-5-9-22(15-20)30-27(35)31-23-16-19(10-11-24(23)32-12-2-3-13-32)25(33)29-17-18-6-4-8-21(28)14-18/h4-11,14-16H,2-3,12-13,17H2,1H3,(H,29,33)(H2,30,31,35)