methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[3-(2,3-dimethoxyphenyl)-1-oxopropyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-pyrrolidino-benzoic acid methyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

InChI

InChI=1S/C23H28N2O5/c1-28-20-8-6-7-16(22(20)29-2)10-12-21(26)24-18-15-17(23(27)30-3)9-11-19(18)25-13-4-5-14-25/h6-9,11,15H,4-5,10,12-14H2,1-3H3,(H,24,26)