[2-acetyloxy-5-(3,5,7-triacetyloxy-4-oxidanylidene-chromen-2-yl)phenyl] 4-azanylcyclohexane-1-carboxylate hydrochloride

Systemtic Name: [2-acetyloxy-5-(3,5,7-triacetyloxy-4-oxidanylidene-chromen-2-yl)phenyl] 4-azanylcyclohexane-1-carboxylate hydrochloride Openeye Name: [2-acetoxy-5-(3,5,7-triacetoxy-4-oxo-chromen-2-yl)phenyl] 4-aminocyclohexanecarboxylate hydrochloride CAS Name: 4-amino-1-cyclohexanecarboxylic acid [2-acetyloxy-5-(3,5,7-triacetyloxy-4-oxo-1-benzopyran-2-yl)phenyl] ester hydrochloride IUPAC Name: [2-acetyloxy-5-(3,5,7-triacetyloxy-4-oxochromen-2-yl)phenyl] 4-aminocyclohexane-1-carboxylate hydrochloride Traditional Name: 4-aminocyclohexanecarboxylic acid [2-acetoxy-5-(3,5,7-triacetoxy-4-keto-chromen-2-yl)phenyl] ester hydrochloride Formula: C30H30ClNO12 MolecularWeight: 632.0117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C4CCC(CC4)N.Cl

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C4CCC(CC4)N.Cl

InChI

InChI=1S/C30H29NO12.ClH/c1-14(32)38-21-12-24(40-16(3)34)26-25(13-21)42-28(29(27(26)36)41-17(4)35)19-7-10-22(39-15(2)33)23(11-19)43-30(37)18-5-8-20(31)9-6-18;/h7,10-13,18,20H,5-6,8-9,31H2,1-4H3;1H