N,N-dibutylmethanamide; 2-(4-methoxyphenyl)-1-methyl-4-pyridin-3-yl-pyrrolidine-3-carboxylic acid

Systemtic Name: N,N-dibutylmethanamide; 2-(4-methoxyphenyl)-1-methyl-4-pyridin-3-yl-pyrrolidine-3-carboxylic acid Openeye Name: N,N-dibutylformamide; 2-(4-methoxyphenyl)-1-methyl-4-(3-pyridyl)pyrrolidine-3-carboxylic acid CAS Name: N,N-dibutylformamide; 2-(4-methoxyphenyl)-1-methyl-4-(3-pyridinyl)-3-pyrrolidinecarboxylic acid IUPAC Name: N,N-dibutylformamide; 2-(4-methoxyphenyl)-1-methyl-4-pyridin-3-ylpyrrolidine-3-carboxylic acid Traditional Name: N,N-dibutylformamide; 2-(4-methoxyphenyl)-1-methyl-4-(3-pyridyl)pyrrolidine-3-carboxylic acid Formula: C27H39N3O4 MolecularWeight: 469.61626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C=O.CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CN=CC=C3

Isomeric SMILES

CCCCN(CCCC)C=O.CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C18H20N2O3.C9H19NO/c1-20-11-15(13-4-3-9-19-10-13)16(18(21)22)17(20)12-5-7-14(23-2)8-6-12;1-3-5-7-10(9-11)8-6-4-2/h3-10,15-17H,11H2,1-2H3,(H,21,22);9H,3-8H2,1-2H3