3-[3-azanyl-4-[2-(4-methylphenyl)ethoxy]-5-naphthalen-2-yl-phenyl]propanoic acid

Systemtic Name: 3-[3-azanyl-4-[2-(4-methylphenyl)ethoxy]-5-naphthalen-2-yl-phenyl]propanoic acid Openeye Name: 3-[3-amino-5-(2-naphthyl)-4-[2-(p-tolyl)ethoxy]phenyl]propanoic acid CAS Name: 3-[3-amino-4-[2-(4-methylphenyl)ethoxy]-5-(2-naphthalenyl)phenyl]propanoic acid IUPAC Name: 3-[3-amino-4-[2-(4-methylphenyl)ethoxy]-5-naphthalen-2-ylphenyl]propanoic acid Traditional Name: 3-[3-amino-5-(2-naphthyl)-4-[2-(p-tolyl)ethoxy]phenyl]propionic acid Formula: C28H27NO3 MolecularWeight: 425.51888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCOC2=C(C=C(C=C2C3=CC4=CC=CC=C4C=C3)CCC(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)CCOC2=C(C=C(C=C2C3=CC4=CC=CC=C4C=C3)CCC(=O)O)N

InChI

InChI=1S/C28H27NO3/c1-19-6-8-20(9-7-19)14-15-32-28-25(16-21(17-26(28)29)10-13-27(30)31)24-12-11-22-4-2-3-5-23(22)18-24/h2-9,11-12,16-18H,10,13-15,29H2,1H3,(H,30,31)