methyl 3-[(3-chloranyl-4,5-dimethoxy-phenyl)carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(3-chloranyl-4,5-dimethoxy-phenyl)carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(3-chloro-4,5-dimethoxy-benzoyl)amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[(3-chloro-4,5-dimethoxyphenyl)-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-4,5-dimethoxybenzoyl)amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(3-chloro-4,5-dimethoxy-benzoyl)amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3)Cl)OC

InChI

InChI=1S/C21H23ClN2O5/c1-27-18-12-14(10-15(22)19(18)28-2)20(25)23-16-11-13(21(26)29-3)6-7-17(16)24-8-4-5-9-24/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,23,25)