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

Systemtic Name: N,N-dibutylmethanamide; 2-(4-methoxyphenyl)-1-methyl-4-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: N,N-dibutylformamide; 2-(4-methoxyphenyl)-1-methyl-4-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: N,N-dibutylformamide; 2-(4-methoxyphenyl)-1-methyl-4-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: N,N-dibutylformamide; 2-(4-methoxyphenyl)-1-methyl-4-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: N,N-dibutylformamide; 2-(4-methoxyphenyl)-1-methyl-4-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C31H46N2O5 MolecularWeight: 526.70734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C=O.CCCOC1=CC=C(C=C1)C2CN(C(C2C(=O)O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCCCN(CCCC)C=O.CCCOC1=CC=C(C=C1)C2CN(C(C2C(=O)O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H27NO4.C9H19NO/c1-4-13-27-18-11-5-15(6-12-18)19-14-23(2)21(20(19)22(24)25)16-7-9-17(26-3)10-8-16;1-3-5-7-10(9-11)8-6-4-2/h5-12,19-21H,4,13-14H2,1-3H3,(H,24,25);9H,3-8H2,1-2H3