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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-16(2)10-11-21-19(24)15-26-20(25)9-8-18-12-22-23(14-18)13-17-6-4-3-5-7-17/h3-9,12,14,16H,10-11,13,15H2,1-2H3,(H,21,24)/b9-8+