3-[3-[2-(4-naphthalen-2-ylphenyl)ethylamino]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[3-[2-(4-naphthalen-2-ylphenyl)ethylamino]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[3-[2-[4-(2-naphthyl)phenyl]ethylamino]phenyl]propanoic acid CAS Name: 3-[3-[2-[4-(2-naphthalenyl)phenyl]ethylamino]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[3-[2-(4-naphthalen-2-ylphenyl)ethylamino]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[3-[2-[4-(2-naphthyl)phenyl]ethylamino]phenyl]propionic acid Formula: C35H32N2O4 MolecularWeight: 544.63958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC(=CC=C2)NCCC3=CC=C(C=C3)C4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC(=CC=C2)NCCC3=CC=C(C=C3)C4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C35H32N2O4/c38-34(39)33(37-35(40)41-24-26-7-2-1-3-8-26)22-27-9-6-12-32(21-27)36-20-19-25-13-15-29(16-14-25)31-18-17-28-10-4-5-11-30(28)23-31/h1-18,21,23,33,36H,19-20,22,24H2,(H,37,40)(H,38,39)