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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-3-18(4-2)22-19(24)15-26-20(25)11-10-17-12-21-23(14-17)13-16-8-6-5-7-9-16/h5-12,14,18H,3-4,13,15H2,1-2H3,(H,22,24)/b11-10+