1-[3-methyl-2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-methyl-2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-methyl-2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[3-methyl-2-[[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)-oxomethyl]amino]-1-oxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-methyl-2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]butanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-methyl-2-[(1-methyl-9H-$b-carboline-3-carbonyl)amino]butanoyl]isonipecotic acid Formula: C24H28N4O4 MolecularWeight: 436.50352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NC(C(C)C)C(=O)N3CCC(CC3)C(=O)O)C4=CC=CC=C4N2

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)NC(C(C)C)C(=O)N3CCC(CC3)C(=O)O)C4=CC=CC=C4N2

InChI

InChI=1S/C24H28N4O4/c1-13(2)20(23(30)28-10-8-15(9-11-28)24(31)32)27-22(29)19-12-17-16-6-4-5-7-18(16)26-21(17)14(3)25-19/h4-7,12-13,15,20,26H,8-11H2,1-3H3,(H,27,29)(H,31,32)