2-[[2-cyclopentyl-2-[4-(quinolin-2-ylmethylamino)phenyl]ethanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-cyclopentyl-2-[4-(quinolin-2-ylmethylamino)phenyl]ethanoyl]amino]ethanoic acid Openeye Name: 2-[[2-cyclopentyl-2-[4-(2-quinolylmethylamino)phenyl]acetyl]amino]acetic acid CAS Name: 2-[[2-cyclopentyl-1-oxo-2-[4-(2-quinolinylmethylamino)phenyl]ethyl]amino]acetic acid IUPAC Name: 2-[[2-cyclopentyl-2-[4-(quinolin-2-ylmethylamino)phenyl]acetyl]amino]acetic acid Traditional Name: 2-[[2-cyclopentyl-2-[4-(2-quinolylmethylamino)phenyl]acetyl]amino]acetic acid Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4C=C3)C(=O)NCC(=O)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4C=C3)C(=O)NCC(=O)O

InChI

InChI=1S/C25H27N3O3/c29-23(30)16-27-25(31)24(18-6-1-2-7-18)19-10-12-20(13-11-19)26-15-21-14-9-17-5-3-4-8-22(17)28-21/h3-5,8-14,18,24,26H,1-2,6-7,15-16H2,(H,27,31)(H,29,30)