1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]proline Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=CC=C2OC)N3CCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=CC=C2OC)N3CCCC3C(=O)O)C

InChI

InChI=1S/C21H25NO3/c1-14-11-15(2)13-16(12-14)20(17-7-4-5-9-19(17)25-3)22-10-6-8-18(22)21(23)24/h4-5,7,9,11-13,18,20H,6,8,10H2,1-3H3,(H,23,24)