(4-methyl-3-nitro-phenyl)methyl 2-methyl-5-[2-(4-oxidanylpiperidin-1-yl)ethyl]-1H-indole-3-carboxylate

Systemtic Name: (4-methyl-3-nitro-phenyl)methyl 2-methyl-5-[2-(4-oxidanylpiperidin-1-yl)ethyl]-1H-indole-3-carboxylate Openeye Name: (4-methyl-3-nitro-phenyl)methyl 5-[2-(4-hydroxy-1-piperidyl)ethyl]-2-methyl-1H-indole-3-carboxylate CAS Name: 5-[2-(4-hydroxy-1-piperidinyl)ethyl]-2-methyl-1H-indole-3-carboxylic acid (4-methyl-3-nitrophenyl)methyl ester IUPAC Name: (4-methyl-3-nitrophenyl)methyl 5-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-methyl-1H-indole-3-carboxylate Traditional Name: 5-[2-(4-hydroxypiperidino)ethyl]-2-methyl-1H-indole-3-carboxylic acid (4-methyl-3-nitro-benzyl) ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)COC(=O)C2=C(NC3=C2C=C(C=C3)CCN4CCC(CC4)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)COC(=O)C2=C(NC3=C2C=C(C=C3)CCN4CCC(CC4)O)C)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O5/c1-16-3-4-19(14-23(16)28(31)32)15-33-25(30)24-17(2)26-22-6-5-18(13-21(22)24)7-10-27-11-8-20(29)9-12-27/h3-6,13-14,20,26,29H,7-12,15H2,1-2H3