[2-oxidanylidene-2-(phenethylamino)ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C23H23N3O3 MolecularWeight: 389.44702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)COC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O3/c27-22(24-14-13-19-7-3-1-4-8-19)18-29-23(28)12-11-21-15-25-26(17-21)16-20-9-5-2-6-10-20/h1-12,15,17H,13-14,16,18H2,(H,24,27)/b12-11+