4-[(2S)-2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[(2S)-2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-[(2S)-2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide CAS Name: 4-[(2S)-2-acetamido-3-(2,5-dimethylphenyl)-1-oxopropyl]-N-(4-ethoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[(2S)-2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-[(2S)-2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-p-phenetyl-piperazine-1-carboxamide Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)[C@H](CC3=C(C=CC(=C3)C)C)NC(=O)C

InChI

InChI=1S/C26H34N4O4/c1-5-34-23-10-8-22(9-11-23)28-26(33)30-14-12-29(13-15-30)25(32)24(27-20(4)31)17-21-16-18(2)6-7-19(21)3/h6-11,16,24H,5,12-15,17H2,1-4H3,(H,27,31)(H,28,33)/t24-/m0/s1