(3S)-3-benzamido-4-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoic acid

Systemtic Name: (3S)-3-benzamido-4-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoic acid Openeye Name: (3S)-3-benzamido-4-[4-[3-(2-pyridylamino)propoxy]phenyl]butanoic acid CAS Name: (3S)-3-benzamido-4-[4-[3-(2-pyridinylamino)propoxy]phenyl]butanoic acid IUPAC Name: (3S)-3-benzamido-4-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoic acid Traditional Name: (3S)-3-benzamido-4-[4-[3-(2-pyridylamino)propoxy]phenyl]butyric acid Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)OCCCNC3=CC=CC=N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)OCCCNC3=CC=CC=N3)CC(=O)O

InChI

InChI=1S/C25H27N3O4/c29-24(30)18-21(28-25(31)20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)32-16-6-15-27-23-9-4-5-14-26-23/h1-5,7-14,21H,6,15-18H2,(H,26,27)(H,28,31)(H,29,30)/t21-/m0/s1