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

Systemtic Name: 3-[3-azanyl-4-[2-(4-dimethylaminophenyl)ethoxy]-5-naphthalen-2-yl-phenyl]propanoic acid Openeye Name: 3-[3-amino-4-[2-(4-dimethylaminophenyl)ethoxy]-5-(2-naphthyl)phenyl]propanoic acid CAS Name: 3-[3-amino-4-[2-(4-dimethylaminophenyl)ethoxy]-5-(2-naphthalenyl)phenyl]propanoic acid IUPAC Name: 3-[3-amino-4-[2-(4-dimethylaminophenyl)ethoxy]-5-naphthalen-2-ylphenyl]propanoic acid Traditional Name: 3-[3-amino-4-[2-(4-dimethylaminophenyl)ethoxy]-5-(2-naphthyl)phenyl]propionic acid Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O3/c1-31(2)25-12-7-20(8-13-25)15-16-34-29-26(17-21(18-27(29)30)9-14-28(32)33)24-11-10-22-5-3-4-6-23(22)19-24/h3-8,10-13,17-19H,9,14-16,30H2,1-2H3,(H,32,33)