(4-methyl-3-nitro-phenyl)methyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate

Systemtic Name: (4-methyl-3-nitro-phenyl)methyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate Openeye Name: (4-methyl-3-nitro-phenyl)methyl 2-methyl-5-[2-(1-piperidyl)ethyl]-1H-indole-3-carboxylate CAS Name: 2-methyl-5-[2-(1-piperidinyl)ethyl]-1H-indole-3-carboxylic acid (4-methyl-3-nitrophenyl)methyl ester IUPAC Name: (4-methyl-3-nitrophenyl)methyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate Traditional Name: 2-methyl-5-(2-piperidinoethyl)-1H-indole-3-carboxylic acid (4-methyl-3-nitro-benzyl) ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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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)CCN4CCCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)COC(=O)C2=C(NC3=C2C=C(C=C3)CCN4CCCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O4/c1-17-6-7-20(15-23(17)28(30)31)16-32-25(29)24-18(2)26-22-9-8-19(14-21(22)24)10-13-27-11-4-3-5-12-27/h6-9,14-15,26H,3-5,10-13,16H2,1-2H3