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

Systemtic Name: methyl 4-pyrrolidin-1-yl-3-[(2-thiophen-3-ylpyrrolidin-1-yl)carbonylamino]benzoate Openeye Name: methyl 4-pyrrolidin-1-yl-3-[[2-(3-thienyl)pyrrolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[2-(3-thiophenyl)-1-pyrrolidinyl]methyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-pyrrolidin-1-yl-3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]benzoate Traditional Name: 4-pyrrolidino-3-[[2-(3-thienyl)pyrrolidine-1-carbonyl]amino]benzoic acid methyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)N3CCCC3C4=CSC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)N3CCCC3C4=CSC=C4

InChI

InChI=1S/C21H25N3O3S/c1-27-20(25)15-6-7-19(23-9-2-3-10-23)17(13-15)22-21(26)24-11-4-5-18(24)16-8-12-28-14-16/h6-8,12-14,18H,2-5,9-11H2,1H3,(H,22,26)