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

Systemtic Name: methyl 3-[[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-propan-2-yl-amino]propanoate Openeye Name: methyl 3-[isopropyl-[3-methyl-5-[2-(4-pyridylamino)ethoxy]benzoyl]amino]propanoate CAS Name: 3-[[[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-oxomethyl]-propan-2-ylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-propan-2-ylamino]propanoate Traditional Name: 3-[isopropyl-[3-methyl-5-[2-(4-pyridylamino)ethoxy]benzoyl]amino]propionic acid methyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-16(2)25(11-7-21(26)28-4)22(27)18-13-17(3)14-20(15-18)29-12-10-24-19-5-8-23-9-6-19/h5-6,8-9,13-16H,7,10-12H2,1-4H3,(H,23,24)