(3S)-1-(azepan-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one

Systemtic Name: (3S)-1-(azepan-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one Openeye Name: (3S)-1-(azepan-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one CAS Name: (3S)-1-(1-azepanyl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)-1-propanone IUPAC Name: (3S)-1-(azepan-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one Traditional Name: (3S)-1-(azepan-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC(C2=CC(=CC=C2)O)C3=CC=CC=C3O

Isomeric SMILES

C1CCCN(CC1)C(=O)C[C@@H](C2=CC(=CC=C2)O)C3=CC=CC=C3O

InChI

InChI=1S/C21H25NO3/c23-17-9-7-8-16(14-17)19(18-10-3-4-11-20(18)24)15-21(25)22-12-5-1-2-6-13-22/h3-4,7-11,14,19,23-24H,1-2,5-6,12-13,15H2/t19-/m0/s1