[3-[(4-hydroxyphenyl)carbonylamino]azepan-4-yl] 4-oxidanylbenzoate hydrochloride

Systemtic Name: [3-[(4-hydroxyphenyl)carbonylamino]azepan-4-yl] 4-oxidanylbenzoate hydrochloride Openeye Name: [3-[(4-hydroxybenzoyl)amino]azepan-4-yl] 4-hydroxybenzoate hydrochloride CAS Name: 4-hydroxybenzoic acid [3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-azepanyl] ester hydrochloride IUPAC Name: [3-[(4-hydroxybenzoyl)amino]azepan-4-yl] 4-hydroxybenzoate hydrochloride Traditional Name: 4-hydroxybenzoic acid [3-[(4-hydroxybenzoyl)amino]azepan-4-yl] ester hydrochloride Formula: C20H23ClN2O5 MolecularWeight: 406.86002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CNC1)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O.Cl

Isomeric SMILES

C1CC(C(CNC1)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O.Cl

InChI

InChI=1S/C20H22N2O5.ClH/c23-15-7-3-13(4-8-15)19(25)22-17-12-21-11-1-2-18(17)27-20(26)14-5-9-16(24)10-6-14;/h3-10,17-18,21,23-24H,1-2,11-12H2,(H,22,25);1H