tert-butyl (2S,6S)-4-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-2-(phenylmethyl)-6-prop-2-enyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S,6S)-4-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-2-(phenylmethyl)-6-prop-2-enyl-piperazine-1-carboxylate Openeye Name: tert-butyl (2S,6S)-6-allyl-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: (2S,6S)-4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2-(phenylmethyl)-6-prop-2-enyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,6S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-6-prop-2-enylpiperazine-1-carboxylate Traditional Name: (2S,6S)-6-allyl-2-benzyl-4-(2,4-dimethoxybenzyl)-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CN(C(=O)C1CC2=CC=CC=C2)CC3=C(C=C(C=C3)OC)OC)CC=C

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](CN(C(=O)[C@@H]1CC2=CC=CC=C2)CC3=C(C=C(C=C3)OC)OC)CC=C

InChI

InChI=1S/C28H36N2O5/c1-7-11-22-19-29(18-21-14-15-23(33-5)17-25(21)34-6)26(31)24(16-20-12-9-8-10-13-20)30(22)27(32)35-28(2,3)4/h7-10,12-15,17,22,24H,1,11,16,18-19H2,2-6H3/t22-,24-/m0/s1