3-[2-(2-naphthalen-2-ylethoxy)-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]propanoic acid

Systemtic Name: 3-[2-(2-naphthalen-2-ylethoxy)-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]propanoic acid Openeye Name: 3-[2-[2-(2-naphthyl)ethoxy]-4-[(thiazol-2-ylamino)methyl]phenyl]propanoic acid CAS Name: 3-[2-[2-(2-naphthalenyl)ethoxy]-4-[(2-thiazolylamino)methyl]phenyl]propanoic acid IUPAC Name: 3-[2-(2-naphthalen-2-ylethoxy)-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]propanoic acid Traditional Name: 3-[2-[2-(2-naphthyl)ethoxy]-4-[(thiazol-2-ylamino)methyl]phenyl]propionic acid Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CNC4=NC=CS4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CNC4=NC=CS4)CCC(=O)O

InChI

InChI=1S/C25H24N2O3S/c28-24(29)10-9-21-8-6-19(17-27-25-26-12-14-31-25)16-23(21)30-13-11-18-5-7-20-3-1-2-4-22(20)15-18/h1-8,12,14-16H,9-11,13,17H2,(H,26,27)(H,28,29)