methyl 3-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-carbamoyl]amino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-carbamoyl]amino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[(3-fluoro-4-methoxy-phenyl)methyl-methyl-carbamoyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[(3-fluoro-4-methoxy-benzyl)-methyl-carbamoyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C22H26FN3O4 MolecularWeight: 415.457943

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

InChI

InChI=1S/C22H26FN3O4/c1-25(14-15-6-9-20(29-2)17(23)12-15)22(28)24-18-13-16(21(27)30-3)7-8-19(18)26-10-4-5-11-26/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,24,28)