methyl 2-[ethyl-[2-(hexanoylamino)pentyl-phenyl-carbamoyl]amino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: methyl 2-[ethyl-[2-(hexanoylamino)pentyl-phenyl-carbamoyl]amino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 2-[ethyl-[2-(hexanoylamino)pentyl-phenyl-carbamoyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 2-[ethyl-[oxo-[N-[2-(1-oxohexylamino)pentyl]anilino]methyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-[ethyl-[2-(hexanoylamino)pentyl-phenylcarbamoyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 2-[[2-(caproylamino)pentyl-phenyl-carbamoyl]-ethyl-amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C28H46ClN3O4 MolecularWeight: 524.13554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CCC)CN(C1=CC=CC=C1)C(=O)N(CC)C2CCCCC2C(=O)OC.Cl

Isomeric SMILES

CCCCCC(=O)NC(CCC)CN(C1=CC=CC=C1)C(=O)N(CC)C2CCCCC2C(=O)OC.Cl

InChI

InChI=1S/C28H45N3O4.ClH/c1-5-8-10-20-26(32)29-22(15-6-2)21-31(23-16-11-9-12-17-23)28(34)30(7-3)25-19-14-13-18-24(25)27(33)35-4;/h9,11-12,16-17,22,24-25H,5-8,10,13-15,18-21H2,1-4H3,(H,29,32);1H