1-[2-[(5,6,7-trimethoxy-1-methyl-indol-2-yl)carbonylamino]propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(5,6,7-trimethoxy-1-methyl-indol-2-yl)carbonylamino]propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(5,6,7-trimethoxy-1-methyl-indole-2-carbonyl)amino]propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[[oxo-(5,6,7-trimethoxy-1-methyl-2-indolyl)methyl]amino]propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(5,6,7-trimethoxy-1-methylindole-2-carbonyl)amino]propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(5,6,7-trimethoxy-1-methyl-indole-2-carbonyl)amino]propanoyl]isonipecotic acid Formula: C22H29N3O7 MolecularWeight: 447.48156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2=CC3=CC(=C(C(=C3N2C)OC)OC)OC

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2=CC3=CC(=C(C(=C3N2C)OC)OC)OC

InChI

InChI=1S/C22H29N3O7/c1-12(21(27)25-8-6-13(7-9-25)22(28)29)23-20(26)15-10-14-11-16(30-3)18(31-4)19(32-5)17(14)24(15)2/h10-13H,6-9H2,1-5H3,(H,23,26)(H,28,29)