3-(2-dimethylaminoethyl)-3-(4-phenoxyphenyl)-4H-isochromen-1-one

Systemtic Name: 3-(2-dimethylaminoethyl)-3-(4-phenoxyphenyl)-4H-isochromen-1-one Openeye Name: 3-(2-dimethylaminoethyl)-3-(4-phenoxyphenyl)isochroman-1-one CAS Name: 3-(2-dimethylaminoethyl)-3-(4-phenoxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-(2-dimethylaminoethyl)-3-(4-phenoxyphenyl)-4H-isochromen-1-one Traditional Name: 3-(2-dimethylaminoethyl)-3-(4-phenoxyphenyl)isochroman-1-one Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN(C)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H25NO3/c1-26(2)17-16-25(18-19-8-6-7-11-23(19)24(27)29-25)20-12-14-22(15-13-20)28-21-9-4-3-5-10-21/h3-15H,16-18H2,1-2H3