7-[3-(cyclooctylamino)-2-oxidanyl-propoxy]-3-phenyl-chromen-4-one hydrochloride

Systemtic Name: 7-[3-(cyclooctylamino)-2-oxidanyl-propoxy]-3-phenyl-chromen-4-one hydrochloride Openeye Name: 7-[3-(cyclooctylamino)-2-hydroxy-propoxy]-3-phenyl-chromen-4-one hydrochloride CAS Name: 7-[3-(cyclooctylamino)-2-hydroxypropoxy]-3-phenyl-1-benzopyran-4-one hydrochloride IUPAC Name: 7-[3-(cyclooctylamino)-2-hydroxypropoxy]-3-phenylchromen-4-one hydrochloride Traditional Name: 7-[3-(cyclooctylamino)-2-hydroxy-propoxy]-3-phenyl-chromone hydrochloride Formula: C26H32ClNO4 MolecularWeight: 457.98958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NCC(COC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4)O.Cl

Isomeric SMILES

C1CCCC(CCC1)NCC(COC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4)O.Cl

InChI

InChI=1S/C26H31NO4.ClH/c28-21(16-27-20-11-7-2-1-3-8-12-20)17-30-22-13-14-23-25(15-22)31-18-24(26(23)29)19-9-5-4-6-10-19;/h4-6,9-10,13-15,18,20-21,27-28H,1-3,7-8,11-12,16-17H2;1H