2-[ethyl-[2-(hexanoylamino)cyclohexyl]carbamoyl]-1-phenyl-piperidine-2-carboxylic acid hydrochloride

Systemtic Name: 2-[ethyl-[2-(hexanoylamino)cyclohexyl]carbamoyl]-1-phenyl-piperidine-2-carboxylic acid hydrochloride Openeye Name: 2-[ethyl-[2-(hexanoylamino)cyclohexyl]carbamoyl]-1-phenyl-piperidine-2-carboxylic acid hydrochloride CAS Name: 2-[[ethyl-[2-(1-oxohexylamino)cyclohexyl]amino]-oxomethyl]-1-phenyl-2-piperidinecarboxylic acid hydrochloride IUPAC Name: 2-[ethyl-[2-(hexanoylamino)cyclohexyl]carbamoyl]-1-phenylpiperidine-2-carboxylic acid hydrochloride Traditional Name: 2-[[2-(caproylamino)cyclohexyl]-ethyl-carbamoyl]-1-phenyl-pipecolinic acid hydrochloride Formula: C27H42ClN3O4 MolecularWeight: 508.09308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1CCCCC1N(CC)C(=O)C2(CCCCN2C3=CC=CC=C3)C(=O)O.Cl

Isomeric SMILES

CCCCCC(=O)NC1CCCCC1N(CC)C(=O)C2(CCCCN2C3=CC=CC=C3)C(=O)O.Cl

InChI

InChI=1S/C27H41N3O4.ClH/c1-3-5-7-18-24(31)28-22-16-10-11-17-23(22)29(4-2)25(32)27(26(33)34)19-12-13-20-30(27)21-14-8-6-9-15-21;/h6,8-9,14-15,22-23H,3-5,7,10-13,16-20H2,1-2H3,(H,28,31)(H,33,34);1H