4-[[(2S)-2-acetamido-3-(3,5-dimethoxyphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide

Systemtic Name: 4-[[(2S)-2-acetamido-3-(3,5-dimethoxyphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide Openeye Name: 4-[[(2S)-2-acetamido-3-(3,5-dimethoxyphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide CAS Name: 4-[[(2S)-2-acetamido-3-(3,5-dimethoxyphenyl)-1-oxopropyl]amino]-N-(4-cyanophenyl)-1-piperidinecarboxamide IUPAC Name: 4-[[(2S)-2-acetamido-3-(3,5-dimethoxyphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide Traditional Name: 4-[[(2S)-2-acetamido-3-(3,5-dimethoxyphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide Formula: C26H31N5O5 MolecularWeight: 493.55484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=CC(=C1)OC)OC)C(=O)NC2CCN(CC2)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC(=CC(=C1)OC)OC)C(=O)NC2CCN(CC2)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H31N5O5/c1-17(32)28-24(14-19-12-22(35-2)15-23(13-19)36-3)25(33)29-21-8-10-31(11-9-21)26(34)30-20-6-4-18(16-27)5-7-20/h4-7,12-13,15,21,24H,8-11,14H2,1-3H3,(H,28,32)(H,29,33)(H,30,34)/t24-/m0/s1