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

Systemtic Name: N,N-dibutylmethanamide; 4-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-1-methyl-pyrrolidine-3-carboxylic acid Openeye Name: N,N-dibutylformamide; 4-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-1-methyl-pyrrolidine-3-carboxylic acid CAS Name: N,N-dibutylformamide; 4-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-1-methyl-3-pyrrolidinecarboxylic acid IUPAC Name: N,N-dibutylformamide; 4-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid Traditional Name: N,N-dibutylformamide; 4-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-1-methyl-pyrrolidine-3-carboxylic acid Formula: C30H44N2O4 MolecularWeight: 496.68136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C=O.CC1=C(C=C(C=C1)C2CN(C(C2C(=O)O)C3=CC=C(C=C3)OC)C)C

Isomeric SMILES

CCCCN(CCCC)C=O.CC1=C(C=C(C=C1)C2CN(C(C2C(=O)O)C3=CC=C(C=C3)OC)C)C

InChI

InChI=1S/C21H25NO3.C9H19NO/c1-13-5-6-16(11-14(13)2)18-12-22(3)20(19(18)21(23)24)15-7-9-17(25-4)10-8-15;1-3-5-7-10(9-11)8-6-4-2/h5-11,18-20H,12H2,1-4H3,(H,23,24);9H,3-8H2,1-2H3