methyl 3-[3-(4-methoxyphenyl)propanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[3-(4-methoxyphenyl)propanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[3-(4-methoxyphenyl)propanoylamino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-methoxyphenyl)propanoylamino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[3-(4-methoxyphenyl)propanoylamino]-4-pyrrolidino-benzoic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

InChI

InChI=1S/C22H26N2O4/c1-27-18-9-5-16(6-10-18)7-12-21(25)23-19-15-17(22(26)28-2)8-11-20(19)24-13-3-4-14-24/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,23,25)