2-[[1-(3-methylbutyl)piperidin-4-yl]methylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[[1-(3-methylbutyl)piperidin-4-yl]methylamino]quinoline-4-carboxylic acid Openeye Name: 2-[(1-isopentyl-4-piperidyl)methylamino]quinoline-4-carboxylic acid CAS Name: 2-[[1-(3-methylbutyl)-4-piperidinyl]methylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[[1-(3-methylbutyl)piperidin-4-yl]methylamino]quinoline-4-carboxylic acid Traditional Name: 2-[(1-isoamyl-4-piperidyl)methylamino]cinchoninic acid Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCC(CC1)CNC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CC(C)CCN1CCC(CC1)CNC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C21H29N3O2/c1-15(2)7-10-24-11-8-16(9-12-24)14-22-20-13-18(21(25)26)17-5-3-4-6-19(17)23-20/h3-6,13,15-16H,7-12,14H2,1-2H3,(H,22,23)(H,25,26)