1-[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-4-methyl-pentanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-4-methyl-1-oxopentyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-4-methyl-pentanoyl]isonipecotic acid Formula: C22H28FN3O4 MolecularWeight: 417.473823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)F

Isomeric SMILES

CC(C)CC(C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)F

InChI

InChI=1S/C22H28FN3O4/c1-13(2)10-17(21(28)26-8-6-14(7-9-26)22(29)30)24-20(27)19-12-15-11-16(23)4-5-18(15)25(19)3/h4-5,11-14,17H,6-10H2,1-3H3,(H,24,27)(H,29,30)