methyl 3-[2-(3,4-dimethylphenyl)ethanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[2-(3,4-dimethylphenyl)ethanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[2-(3,4-dimethylphenyl)-1-oxoethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3)C

InChI

InChI=1S/C22H26N2O3/c1-15-6-7-17(12-16(15)2)13-21(25)23-19-14-18(22(26)27-3)8-9-20(19)24-10-4-5-11-24/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,23,25)