3-[2-[methyl(2-naphthalen-2-ylethyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[methyl(2-naphthalen-2-ylethyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[methyl-[2-(2-naphthyl)ethyl]amino]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[methyl-[2-(2-naphthalenyl)ethyl]amino]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[methyl(2-naphthalen-2-ylethyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[methyl-[2-(2-naphthyl)ethyl]amino]-4-(phenoxymethyl)phenyl]propionic acid Formula: C29H29NO3 MolecularWeight: 439.54546

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC2=CC=CC=C2C=C1)C3=C(C=CC(=C3)COC4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

CN(CCC1=CC2=CC=CC=C2C=C1)C3=C(C=CC(=C3)COC4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C29H29NO3/c1-30(18-17-22-11-13-24-7-5-6-8-26(24)19-22)28-20-23(12-14-25(28)15-16-29(31)32)21-33-27-9-3-2-4-10-27/h2-14,19-20H,15-18,21H2,1H3,(H,31,32)