1,4-bis[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]butane-1,4-dione

Systemtic Name: 1,4-bis[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]butane-1,4-dione Openeye Name: 1,4-bis[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]butane-1,4-dione CAS Name: 1,4-bis[(3S)-3-ethyl-3-(3-hydroxyphenyl)-1-azepanyl]butane-1,4-dione IUPAC Name: 1,4-bis[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]butane-1,4-dione Traditional Name: 1,4-bis[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]butane-1,4-dione Formula: C32H44N2O4 MolecularWeight: 520.70276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1)C(=O)CCC(=O)N2CCCCC(C2)(CC)C3=CC(=CC=C3)O)C4=CC(=CC=C4)O

Isomeric SMILES

CC[C@]1(CCCCN(C1)C(=O)CCC(=O)N2CCCC[C@@](C2)(CC)C3=CC(=CC=C3)O)C4=CC(=CC=C4)O

InChI

InChI=1S/C32H44N2O4/c1-3-31(25-11-9-13-27(35)21-25)17-5-7-19-33(23-31)29(37)15-16-30(38)34-20-8-6-18-32(4-2,24-34)26-12-10-14-28(36)22-26/h9-14,21-22,35-36H,3-8,15-20,23-24H2,1-2H3/t31-,32-/m1/s1