4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-6-(pyrrolidin-1-ylmethyl)chromen-7-ol

Systemtic Name: 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-6-(pyrrolidin-1-ylmethyl)chromen-7-ol Openeye Name: 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-6-(pyrrolidin-1-ylmethyl)chromen-7-ol CAS Name: 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-6-(1-pyrrolidinylmethyl)-1-benzopyran-7-ol IUPAC Name: 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-6-(pyrrolidin-1-ylmethyl)chromen-7-ol Traditional Name: 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-6-(pyrrolidinomethyl)chromen-7-ol Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(OC2=CC(=C(C=C21)CN3CCCC3)O)(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=C(C(OC2=CC(=C(C=C21)CN3CCCC3)O)(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31NO3/c1-5-20-21-14-18(16-26-12-6-7-13-26)22(27)15-23(21)29-25(2,3)24(20)17-8-10-19(28-4)11-9-17/h8-11,14-15,27H,5-7,12-13,16H2,1-4H3