methyl 2-[ethyl-[2-(hexanoylamino)-1-phenyl-piperidin-2-yl]carbonyl-amino]benzoate hydrochloride

Systemtic Name: methyl 2-[ethyl-[2-(hexanoylamino)-1-phenyl-piperidin-2-yl]carbonyl-amino]benzoate hydrochloride Openeye Name: methyl 2-[ethyl-[2-(hexanoylamino)-1-phenyl-piperidine-2-carbonyl]amino]benzoate hydrochloride CAS Name: 2-[ethyl-[oxo-[2-(1-oxohexylamino)-1-phenyl-2-piperidinyl]methyl]amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[ethyl-[2-(hexanoylamino)-1-phenylpiperidine-2-carbonyl]amino]benzoate hydrochloride Traditional Name: 2-[[2-(caproylamino)-1-phenyl-pipecoloyl]-ethyl-amino]benzoic acid methyl ester hydrochloride Formula: C28H38ClN3O4 MolecularWeight: 516.07202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1(CCCCN1C2=CC=CC=C2)C(=O)N(CC)C3=CC=CC=C3C(=O)OC.Cl

Isomeric SMILES

CCCCCC(=O)NC1(CCCCN1C2=CC=CC=C2)C(=O)N(CC)C3=CC=CC=C3C(=O)OC.Cl

InChI

InChI=1S/C28H37N3O4.ClH/c1-4-6-8-19-25(32)29-28(20-13-14-21-31(28)22-15-9-7-10-16-22)27(34)30(5-2)24-18-12-11-17-23(24)26(33)35-3;/h7,9-12,15-18H,4-6,8,13-14,19-21H2,1-3H3,(H,29,32);1H