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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C19H23N3O3 MolecularWeight: 341.40422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C=CC1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)COC(=O)/C=C/C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C19H23N3O3/c1-2-3-11-20-18(23)15-25-19(24)10-9-17-12-21-22(14-17)13-16-7-5-4-6-8-16/h4-10,12,14H,2-3,11,13,15H2,1H3,(H,20,23)/b10-9+