3-[(4-aminocarbonyl-4-piperidin-1-yl-piperidin-1-yl)methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(4-aminocarbonyl-4-piperidin-1-yl-piperidin-1-yl)methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid Openeye Name: 3-[[4-carbamoyl-4-(1-piperidyl)-1-piperidyl]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid CAS Name: 3-[[4-carbamoyl-4-(1-piperidinyl)-1-piperidinyl]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid IUPAC Name: 3-[(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid Traditional Name: 3-[(4-carbamoyl-4-piperidino-piperidino)methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C2CN3CCC(CC3)(C(=O)N)N4CCCCC4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C2CN3CCC(CC3)(C(=O)N)N4CCCCC4)C(=O)O)C

InChI

InChI=1S/C23H32N4O3/c1-15-12-16(2)19-17(20(21(28)29)25-18(19)13-15)14-26-10-6-23(7-11-26,22(24)30)27-8-4-3-5-9-27/h12-13,25H,3-11,14H2,1-2H3,(H2,24,30)(H,28,29)