7-[3-[bis(phenylmethyl)amino]-2-oxidanyl-propoxy]-3-(4-tert-butylphenoxy)chromen-4-one

Systemtic Name: 7-[3-[bis(phenylmethyl)amino]-2-oxidanyl-propoxy]-3-(4-tert-butylphenoxy)chromen-4-one Openeye Name: 3-(4-tert-butylphenoxy)-7-[3-(dibenzylamino)-2-hydroxy-propoxy]chromen-4-one CAS Name: 7-[3-[bis(phenylmethyl)amino]-2-hydroxypropoxy]-3-(4-tert-butylphenoxy)-1-benzopyran-4-one IUPAC Name: 3-(4-tert-butylphenoxy)-7-[3-(dibenzylamino)-2-hydroxypropoxy]chromen-4-one Traditional Name: 3-(4-tert-butylphenoxy)-7-[3-(dibenzylamino)-2-hydroxy-propoxy]chromone Formula: C36H37NO5 MolecularWeight: 563.68268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN(CC4=CC=CC=C4)CC5=CC=CC=C5)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN(CC4=CC=CC=C4)CC5=CC=CC=C5)O

InChI

InChI=1S/C36H37NO5/c1-36(2,3)28-14-16-30(17-15-28)42-34-25-41-33-20-31(18-19-32(33)35(34)39)40-24-29(38)23-37(21-26-10-6-4-7-11-26)22-27-12-8-5-9-13-27/h4-20,25,29,38H,21-24H2,1-3H3