(phenylmethyl) (2S)-2-[bis(phenylmethyl)amino]-3-(4-pyridin-2-ylphenyl)propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[bis(phenylmethyl)amino]-3-(4-pyridin-2-ylphenyl)propanoate Openeye Name: benzyl (2S)-2-(dibenzylamino)-3-[4-(2-pyridyl)phenyl]propanoate CAS Name: (2S)-2-[bis(phenylmethyl)amino]-3-[4-(2-pyridinyl)phenyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(dibenzylamino)-3-(4-pyridin-2-ylphenyl)propanoate Traditional Name: (2S)-2-(dibenzylamino)-3-[4-(2-pyridyl)phenyl]propionic acid benzyl ester Formula: C35H32N2O2 MolecularWeight: 512.64078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(CC3=CC=C(C=C3)C4=CC=CC=N4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)[C@@H](CC3=CC=C(C=C3)C4=CC=CC=N4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H32N2O2/c38-35(39-27-31-16-8-3-9-17-31)34(24-28-19-21-32(22-20-28)33-18-10-11-23-36-33)37(25-29-12-4-1-5-13-29)26-30-14-6-2-7-15-30/h1-23,34H,24-27H2/t34-/m0/s1