methyl 3-[4-(4-methoxyphenoxy)butanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[4-(4-methoxyphenoxy)butanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[4-(4-methoxyphenoxy)butanoylamino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[4-(4-methoxyphenoxy)-1-oxobutyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-methoxyphenoxy)butanoylamino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[4-(4-methoxyphenoxy)butanoylamino]-4-pyrrolidino-benzoic acid methyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5/c1-28-18-8-10-19(11-9-18)30-15-5-6-22(26)24-20-16-17(23(27)29-2)7-12-21(20)25-13-3-4-14-25/h7-12,16H,3-6,13-15H2,1-2H3,(H,24,26)