4-[ethyl-[2-(hexanoylamino)phenyl]carbamoyl]-3-piperidin-1-yl-pyridine-2-carboxylic acid hydrochloride

Systemtic Name: 4-[ethyl-[2-(hexanoylamino)phenyl]carbamoyl]-3-piperidin-1-yl-pyridine-2-carboxylic acid hydrochloride Openeye Name: 4-[ethyl-[2-(hexanoylamino)phenyl]carbamoyl]-3-(1-piperidyl)pyridine-2-carboxylic acid hydrochloride CAS Name: 4-[[N-ethyl-2-(1-oxohexylamino)anilino]-oxomethyl]-3-(1-piperidinyl)-2-pyridinecarboxylic acid hydrochloride IUPAC Name: 4-[ethyl-[2-(hexanoylamino)phenyl]carbamoyl]-3-piperidin-1-ylpyridine-2-carboxylic acid hydrochloride Traditional Name: 4-[[2-(caproylamino)phenyl]-ethyl-carbamoyl]-3-piperidino-picolinic acid hydrochloride Formula: C26H35ClN4O4 MolecularWeight: 503.0335

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=CC=C1N(CC)C(=O)C2=C(C(=NC=C2)C(=O)O)N3CCCCC3.Cl

Isomeric SMILES

CCCCCC(=O)NC1=CC=CC=C1N(CC)C(=O)C2=C(C(=NC=C2)C(=O)O)N3CCCCC3.Cl

InChI

InChI=1S/C26H34N4O4.ClH/c1-3-5-7-14-22(31)28-20-12-8-9-13-21(20)30(4-2)25(32)19-15-16-27-23(26(33)34)24(19)29-17-10-6-11-18-29;/h8-9,12-13,15-16H,3-7,10-11,14,17-18H2,1-2H3,(H,28,31)(H,33,34);1H