propan-2-yl 4-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoic acid isopropyl ester Formula: C24H31N2O5+ MolecularWeight: 427.51334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCC2C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC[C@@H]2C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C24H30N2O5/c1-16(2)31-24(28)17-7-9-18(10-8-17)25-23(27)15-26-13-5-6-21(26)20-12-11-19(29-3)14-22(20)30-4/h7-12,14,16,21H,5-6,13,15H2,1-4H3,(H,25,27)/p+1/t21-/m1/s1