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

Systemtic Name: 1-[2-[(4,7-dimethoxy-1-methyl-indol-2-yl)carbonylamino]propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(4,7-dimethoxy-1-methyl-indole-2-carbonyl)amino]propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[(4,7-dimethoxy-1-methyl-2-indolyl)-oxomethyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4,7-dimethoxy-1-methylindole-2-carbonyl)amino]propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(4,7-dimethoxy-1-methyl-indole-2-carbonyl)amino]propanoyl]isonipecotic acid Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6/c1-12(20(26)24-9-7-13(8-10-24)21(27)28)22-19(25)15-11-14-16(29-3)5-6-17(30-4)18(14)23(15)2/h5-6,11-13H,7-10H2,1-4H3,(H,22,25)(H,27,28)