(2S)-1-[4-[4-(butylcarbamoylamino)phenyl]phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[4-[4-(butylcarbamoylamino)phenyl]phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[4-[4-(butylcarbamoylamino)phenyl]benzoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[4-[4-[[butylamino(oxo)methyl]amino]phenyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[4-[4-(butylcarbamoylamino)phenyl]benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[4-[4-(butylcarbamoylamino)phenyl]benzoyl]proline Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CCCCNC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C23H27N3O4/c1-2-3-14-24-23(30)25-19-12-10-17(11-13-19)16-6-8-18(9-7-16)21(27)26-15-4-5-20(26)22(28)29/h6-13,20H,2-5,14-15H2,1H3,(H,28,29)(H2,24,25,30)/t20-/m0/s1