5-[(4-azanyl-1-ethyl-piperidin-4-yl)carbonylamino]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 5-[(4-azanyl-1-ethyl-piperidin-4-yl)carbonylamino]-1-methyl-indole-2-carboxylic acid Openeye Name: 5-[(4-amino-1-ethyl-piperidine-4-carbonyl)amino]-1-methyl-indole-2-carboxylic acid CAS Name: 5-[[(4-amino-1-ethyl-4-piperidinyl)-oxomethyl]amino]-1-methyl-2-indolecarboxylic acid IUPAC Name: 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylic acid Traditional Name: 5-[(4-amino-1-ethyl-isonipecotoyl)amino]-1-methyl-indole-2-carboxylic acid Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)(C(=O)NC2=CC3=C(C=C2)N(C(=C3)C(=O)O)C)N

Isomeric SMILES

CCN1CCC(CC1)(C(=O)NC2=CC3=C(C=C2)N(C(=C3)C(=O)O)C)N

InChI

InChI=1S/C18H24N4O3/c1-3-22-8-6-18(19,7-9-22)17(25)20-13-4-5-14-12(10-13)11-15(16(23)24)21(14)2/h4-5,10-11H,3,6-9,19H2,1-2H3,(H,20,25)(H,23,24)