2-azanyl-3-[3-bromanyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-2-cyclohexyl-3-oxidanylidene-propanoic acid

Systemtic Name: 2-azanyl-3-[3-bromanyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-2-cyclohexyl-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-3-[3-bromo-5-[2-(4-pyridylamino)ethoxy]phenyl]-2-cyclohexyl-3-oxo-propanoic acid CAS Name: 2-amino-3-[3-bromo-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-2-cyclohexyl-3-oxopropanoic acid IUPAC Name: 2-amino-3-[3-bromo-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-2-cyclohexyl-3-oxopropanoic acid Traditional Name: 2-amino-3-[3-bromo-5-[2-(4-pyridylamino)ethoxy]phenyl]-2-cyclohexyl-3-keto-propionic acid Formula: C22H26BrN3O4 MolecularWeight: 476.36354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)C2=CC(=CC(=C2)Br)OCCNC3=CC=NC=C3)(C(=O)O)N

Isomeric SMILES

C1CCC(CC1)C(C(=O)C2=CC(=CC(=C2)Br)OCCNC3=CC=NC=C3)(C(=O)O)N

InChI

InChI=1S/C22H26BrN3O4/c23-17-12-15(20(27)22(24,21(28)29)16-4-2-1-3-5-16)13-19(14-17)30-11-10-26-18-6-8-25-9-7-18/h6-9,12-14,16H,1-5,10-11,24H2,(H,25,26)(H,28,29)