3-(butylaminomethyl)-6-phenylmethoxy-2,3-dihydrochromen-4-one hydrochloride

Systemtic Name: 3-(butylaminomethyl)-6-phenylmethoxy-2,3-dihydrochromen-4-one hydrochloride Openeye Name: 6-benzyloxy-3-(butylaminomethyl)chroman-4-one hydrochloride CAS Name: 3-(butylaminomethyl)-6-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-one hydrochloride IUPAC Name: 3-(butylaminomethyl)-6-phenylmethoxy-2,3-dihydrochromen-4-one hydrochloride Traditional Name: 6-benzoxy-3-(butylaminomethyl)chroman-4-one hydrochloride Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1COC2=C(C1=O)C=C(C=C2)OCC3=CC=CC=C3.Cl

Isomeric SMILES

CCCCNCC1COC2=C(C1=O)C=C(C=C2)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H25NO3.ClH/c1-2-3-11-22-13-17-15-25-20-10-9-18(12-19(20)21(17)23)24-14-16-7-5-4-6-8-16;/h4-10,12,17,22H,2-3,11,13-15H2,1H3;1H