(2S)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(4-nitrophenyl)carbonylpiperidin-4-yl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(4-nitrophenyl)carbonylpiperidin-4-yl]propanamide Openeye Name: (2S)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(4-nitrobenzoyl)-4-piperidyl]propanamide CAS Name: (2S)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-[(4-nitrophenyl)-oxomethyl]-4-piperidinyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide Traditional Name: (2S)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(4-nitrobenzoyl)-4-piperidyl]propionamide Formula: C25H30N4O7 MolecularWeight: 498.5283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O7/c1-16(30)26-21(14-17-4-9-22(35-2)23(15-17)36-3)24(31)27-19-10-12-28(13-11-19)25(32)18-5-7-20(8-6-18)29(33)34/h4-9,15,19,21H,10-14H2,1-3H3,(H,26,30)(H,27,31)/t21-/m0/s1