2-cyclohexyl-7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-phenyl-chromen-4-one hydrochloride

Systemtic Name: 2-cyclohexyl-7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-phenyl-chromen-4-one hydrochloride Openeye Name: 2-cyclohexyl-7-[2-hydroxy-3-(isopropylamino)propoxy]-3-phenyl-chromen-4-one hydrochloride CAS Name: 2-cyclohexyl-7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-phenyl-1-benzopyran-4-one hydrochloride IUPAC Name: 2-cyclohexyl-7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-phenylchromen-4-one hydrochloride Traditional Name: 2-cyclohexyl-7-[2-hydroxy-3-(isopropylamino)propoxy]-3-phenyl-chromone hydrochloride Formula: C27H34ClNO4 MolecularWeight: 472.01616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3CCCCC3)C4=CC=CC=C4)O.Cl

Isomeric SMILES

CC(C)NCC(COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3CCCCC3)C4=CC=CC=C4)O.Cl

InChI

InChI=1S/C27H33NO4.ClH/c1-18(2)28-16-21(29)17-31-22-13-14-23-24(15-22)32-27(20-11-7-4-8-12-20)25(26(23)30)19-9-5-3-6-10-19;/h3,5-6,9-10,13-15,18,20-21,28-29H,4,7-8,11-12,16-17H2,1-2H3;1H