[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (E)-2-acetamido-3-phenyl-2-propenoic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (E)-2-acetamido-3-phenyl-acrylic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C(=CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C

InChI

InChI=1S/C21H28N2O4/c1-14-9-7-8-12-18(14)23-20(25)15(2)27-21(26)19(22-16(3)24)13-17-10-5-4-6-11-17/h4-6,10-11,13-15,18H,7-9,12H2,1-3H3,(H,22,24)(H,23,25)/b19-13+