2-[[3-[4-(4-isocyanophenyl)phenoxy]-3-phenyl-propyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-[4-(4-isocyanophenyl)phenoxy]-3-phenyl-propyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-[4-(4-isocyanophenyl)phenoxy]-3-phenyl-propyl]-methyl-amino]acetic acid CAS Name: 2-[[3-[4-(4-isocyanophenyl)phenoxy]-3-phenylpropyl]-methylamino]acetic acid IUPAC Name: 2-[[3-[4-(4-isocyanophenyl)phenoxy]-3-phenylpropyl]-methylamino]acetic acid Traditional Name: 2-[[3-[4-(4-isocyanophenyl)phenoxy]-3-phenyl-propyl]-methyl-amino]acetic acid Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)[N+]#[C-])CC(=O)O

Isomeric SMILES

CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)[N+]#[C-])CC(=O)O

InChI

InChI=1S/C25H24N2O3/c1-26-22-12-8-19(9-13-22)20-10-14-23(15-11-20)30-24(21-6-4-3-5-7-21)16-17-27(2)18-25(28)29/h3-15,24H,16-18H2,2H3,(H,28,29)