4-[(2S)-2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-fluorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[(2S)-2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-[(2S)-2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-[(2S)-2-acetamido-3-(3,4-dimethoxyphenyl)-1-oxopropyl]-N-(3-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[(2S)-2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[(2S)-2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-fluorophenyl)piperazine-1-carboxamide Formula: C24H29FN4O5 MolecularWeight: 472.509263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC(=C(C=C1)OC)OC)C(=O)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C24H29FN4O5/c1-16(30)26-20(13-17-7-8-21(33-2)22(14-17)34-3)23(31)28-9-11-29(12-10-28)24(32)27-19-6-4-5-18(25)15-19/h4-8,14-15,20H,9-13H2,1-3H3,(H,26,30)(H,27,32)/t20-/m0/s1