[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C28H27N3O3/c32-27(22-34-28(33)26-14-12-25(13-15-26)21-31-18-7-17-29-31)30(20-24-10-5-2-6-11-24)19-16-23-8-3-1-4-9-23/h1-15,17-18H,16,19-22H2