2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-3-phenylprop-2-enyl]amino]ethyl 4-(4-ethoxyphenyl)piperazine-1-carboxylate

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-3-phenylprop-2-enyl]amino]ethyl 4-(4-ethoxyphenyl)piperazine-1-carboxylate Openeye Name: 2-[tert-butoxycarbonyl-[(E)-cinnamyl]amino]ethyl 4-(4-ethoxyphenyl)piperazine-1-carboxylate CAS Name: 4-(4-ethoxyphenyl)-1-piperazinecarboxylic acid 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(E)-3-phenylprop-2-enyl]amino]ethyl ester IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-3-phenylprop-2-enyl]amino]ethyl 4-(4-ethoxyphenyl)piperazine-1-carboxylate Traditional Name: 4-p-phenetylpiperazine-1-carboxylic acid 2-[tert-butoxycarbonyl-[(E)-cinnamyl]amino]ethyl ester Formula: C29H39N3O5 MolecularWeight: 509.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CCN(CC2)C(=O)OCCN(CC=CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CCN(CC2)C(=O)OCCN(C/C=C/C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H39N3O5/c1-5-35-26-15-13-25(14-16-26)30-18-20-32(21-19-30)27(33)36-23-22-31(28(34)37-29(2,3)4)17-9-12-24-10-7-6-8-11-24/h6-16H,5,17-23H2,1-4H3/b12-9+