2-[(4-cyano-2-ethyl-6-methyl-phenyl)carbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propanoic acid

Systemtic Name: 2-[(4-cyano-2-ethyl-6-methyl-phenyl)carbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propanoic acid Openeye Name: 2-[(4-cyano-2-ethyl-6-methyl-benzoyl)amino]-3-[4-[4-[(2-pyridylamino)methyl]-4,5-dihydrooxazol-2-yl]phenyl]propanoic acid CAS Name: 2-[[(4-cyano-2-ethyl-6-methylphenyl)-oxomethyl]amino]-3-[4-[4-[(2-pyridinylamino)methyl]-4,5-dihydrooxazol-2-yl]phenyl]propanoic acid IUPAC Name: 2-[(4-cyano-2-ethyl-6-methylbenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propanoic acid Traditional Name: 2-[(4-cyano-2-ethyl-6-methyl-benzoyl)amino]-3-[4-[4-[(2-pyridylamino)methyl]-2-oxazolin-2-yl]phenyl]propionic acid Formula: C29H29N5O4 MolecularWeight: 511.57166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1C(=O)NC(CC2=CC=C(C=C2)C3=NC(CO3)CNC4=CC=CC=N4)C(=O)O)C)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1C(=O)NC(CC2=CC=C(C=C2)C3=NC(CO3)CNC4=CC=CC=N4)C(=O)O)C)C#N

InChI

InChI=1S/C29H29N5O4/c1-3-21-13-20(15-30)12-18(2)26(21)27(35)34-24(29(36)37)14-19-7-9-22(10-8-19)28-33-23(17-38-28)16-32-25-6-4-5-11-31-25/h4-13,23-24H,3,14,16-17H2,1-2H3,(H,31,32)(H,34,35)(H,36,37)