1-[2-[(5,6-dimethoxy-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(5,6-dimethoxy-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(5,6-dimethoxy-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[(5,6-dimethoxy-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(5,6-dimethoxy-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(5,6-dimethoxy-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]isonipecotic acid Formula: C23H31N3O6 MolecularWeight: 445.50874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O6/c1-13(2)20(22(28)26-8-6-14(7-9-26)23(29)30)24-21(27)17-10-15-11-18(31-4)19(32-5)12-16(15)25(17)3/h10-14,20H,6-9H2,1-5H3,(H,24,27)(H,29,30)