[1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: [1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid [1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C28H34N2O4/c1-19(2)24-12-8-9-20(3)26(24)29-27(32)21(4)34-28(33)23-15-17-30(18-16-23)25(31)14-13-22-10-6-5-7-11-22/h5-14,19,21,23H,15-18H2,1-4H3,(H,29,32)/b14-13+