[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-[[(1S)-1-(p-tolyl)propyl]amino]ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [2-keto-2-[[(1S)-1-(p-tolyl)propyl]amino]ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)C)NC(=O)COC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3/c1-3-23(22-12-9-19(2)10-13-22)27-24(29)18-31-25(30)14-11-21-15-26-28(17-21)16-20-7-5-4-6-8-20/h4-15,17,23H,3,16,18H2,1-2H3,(H,27,29)/b14-11+/t23-/m0/s1