2-[[3-[4-(dimethylaminomethyl)phenyl]carbonylpyridin-4-yl]amino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid

Systemtic Name: 2-[[3-[4-(dimethylaminomethyl)phenyl]carbonylpyridin-4-yl]amino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-[[3-[4-(dimethylaminomethyl)benzoyl]-4-pyridyl]amino]-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-[[3-[[4-(dimethylaminomethyl)phenyl]-oxomethyl]-4-pyridinyl]amino]-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-[[3-[4-(dimethylaminomethyl)benzoyl]pyridin-4-yl]amino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-[[3-[4-(dimethylaminomethyl)benzoyl]-4-pyridyl]amino]-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]propionic acid Formula: C36H36N4O5 MolecularWeight: 604.69484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CC(C(=O)O)NC4=C(C=NC=C4)C(=O)C5=CC=C(C=C5)CN(C)C

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CC(C(=O)O)NC4=C(C=NC=C4)C(=O)C5=CC=C(C=C5)CN(C)C

InChI

InChI=1S/C36H36N4O5/c1-24-31(39-35(45-24)28-7-5-4-6-8-28)18-20-44-29-15-11-25(12-16-29)21-33(36(42)43)38-32-17-19-37-22-30(32)34(41)27-13-9-26(10-14-27)23-40(2)3/h4-17,19,22,33H,18,20-21,23H2,1-3H3,(H,37,38)(H,42,43)