1-(4-octadecoxyphenyl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-octadecoxyphenyl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(4-octadecoxybenzoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-octadecoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-octadecoxybenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-stearyloxybenzoyl)proline Formula: C30H49NO4 MolecularWeight: 487.71436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C30H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-35-27-22-20-26(21-23-27)29(32)31-24-18-19-28(31)30(33)34/h20-23,28H,2-19,24-25H2,1H3,(H,33,34)