6-[[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-propan-2-yl-amino]hexanoic acid

Systemtic Name: 6-[[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-propan-2-yl-amino]hexanoic acid Openeye Name: 6-[isopropyl-[3-methyl-5-[2-(4-pyridylamino)ethoxy]benzoyl]amino]hexanoic acid CAS Name: 6-[[[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-oxomethyl]-propan-2-ylamino]hexanoic acid IUPAC Name: 6-[[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-propan-2-ylamino]hexanoic acid Traditional Name: 6-[isopropyl-[3-methyl-5-[2-(4-pyridylamino)ethoxy]benzoyl]amino]hexanoic acid Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(CCCCCC(=O)O)C(C)C)OCCNC2=CC=NC=C2

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(CCCCCC(=O)O)C(C)C)OCCNC2=CC=NC=C2

InChI

InChI=1S/C24H33N3O4/c1-18(2)27(13-6-4-5-7-23(28)29)24(30)20-15-19(3)16-22(17-20)31-14-12-26-21-8-10-25-11-9-21/h8-11,15-18H,4-7,12-14H2,1-3H3,(H,25,26)(H,28,29)