methyl 3-[(3-methoxyphenyl)carbonylamino]-5-[[(1-pyrrolidin-1-ium-1-ylcyclopentyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 3-[(3-methoxyphenyl)carbonylamino]-5-[[(1-pyrrolidin-1-ium-1-ylcyclopentyl)carbonylamino]methyl]benzoate Openeye Name: methyl 3-[(3-methoxybenzoyl)amino]-5-[[(1-pyrrolidin-1-ium-1-ylcyclopentanecarbonyl)amino]methyl]benzoate CAS Name: 3-[[(3-methoxyphenyl)-oxomethyl]amino]-5-[[[oxo-[1-(1-pyrrolidin-1-iumyl)cyclopentyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-methoxybenzoyl)amino]-5-[[(1-pyrrolidin-1-ium-1-ylcyclopentanecarbonyl)amino]methyl]benzoate Traditional Name: 3-(m-anisoylamino)-5-[[(1-pyrrolidin-1-ium-1-ylcyclopentanecarbonyl)amino]methyl]benzoic acid methyl ester Formula: C27H34N3O5+ MolecularWeight: 480.57596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)CNC(=O)C3(CCCC3)[NH+]4CCCC4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)CNC(=O)C3(CCCC3)[NH+]4CCCC4)C(=O)OC

InChI

InChI=1S/C27H33N3O5/c1-34-23-9-7-8-20(17-23)24(31)29-22-15-19(14-21(16-22)25(32)35-2)18-28-26(33)27(10-3-4-11-27)30-12-5-6-13-30/h7-9,14-17H,3-6,10-13,18H2,1-2H3,(H,28,33)(H,29,31)/p+1