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

Systemtic Name: ethyl 2-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C23H29N2O5+ MolecularWeight: 413.48676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCCC2C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCC[C@@H]2C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C23H28N2O5/c1-4-30-23(27)17-8-5-6-9-19(17)24-22(26)15-25-13-7-10-20(25)18-12-11-16(28-2)14-21(18)29-3/h5-6,8-9,11-12,14,20H,4,7,10,13,15H2,1-3H3,(H,24,26)/p+1/t20-/m1/s1