methyl 3-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(3-methylbenzofuran-2-carbonyl)amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-methyl-1-benzofuran-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(3-methylbenzofuran-2-carbonyl)amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4

InChI

InChI=1S/C22H22N2O4/c1-14-16-7-3-4-8-19(16)28-20(14)21(25)23-17-13-15(22(26)27-2)9-10-18(17)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,23,25)