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

Systemtic Name: 3-[[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-propan-2-yl-amino]propanoic acid Openeye Name: 3-[isopropyl-[3-methyl-5-[2-(4-pyridylamino)ethoxy]benzoyl]amino]propanoic acid CAS Name: 3-[[[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-oxomethyl]-propan-2-ylamino]propanoic acid IUPAC Name: 3-[[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-propan-2-ylamino]propanoic acid Traditional Name: 3-[isopropyl-[3-methyl-5-[2-(4-pyridylamino)ethoxy]benzoyl]amino]propionic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-15(2)24(10-6-20(25)26)21(27)17-12-16(3)13-19(14-17)28-11-9-23-18-4-7-22-8-5-18/h4-5,7-8,12-15H,6,9-11H2,1-3H3,(H,22,23)(H,25,26)