[3-[(3-butan-2-yl-4-oxidanyl-phenyl)carbonylamino]azepan-4-yl] 4-(5-methoxy-2-oxidanyl-phenyl)carbonylbenzoate

Systemtic Name: [3-[(3-butan-2-yl-4-oxidanyl-phenyl)carbonylamino]azepan-4-yl] 4-(5-methoxy-2-oxidanyl-phenyl)carbonylbenzoate Openeye Name: [3-[(4-hydroxy-3-sec-butyl-benzoyl)amino]azepan-4-yl] 4-(2-hydroxy-5-methoxy-benzoyl)benzoate CAS Name: 4-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]benzoic acid [3-[[(3-butan-2-yl-4-hydroxyphenyl)-oxomethyl]amino]-4-azepanyl] ester IUPAC Name: [3-[(3-butan-2-yl-4-hydroxybenzoyl)amino]azepan-4-yl] 4-(2-hydroxy-5-methoxybenzoyl)benzoate Traditional Name: 4-(2-hydroxy-5-methoxy-benzoyl)benzoic acid [3-[(4-hydroxy-3-sec-butyl-benzoyl)amino]azepan-4-yl] ester Formula: C32H36N2O7 MolecularWeight: 560.63744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC(=C1)C(=O)NC2CNCCCC2OC(=O)C3=CC=C(C=C3)C(=O)C4=C(C=CC(=C4)OC)O)O

Isomeric SMILES

CCC(C)C1=C(C=CC(=C1)C(=O)NC2CNCCCC2OC(=O)C3=CC=C(C=C3)C(=O)C4=C(C=CC(=C4)OC)O)O

InChI

InChI=1S/C32H36N2O7/c1-4-19(2)24-16-22(11-13-27(24)35)31(38)34-26-18-33-15-5-6-29(26)41-32(39)21-9-7-20(8-10-21)30(37)25-17-23(40-3)12-14-28(25)36/h7-14,16-17,19,26,29,33,35-36H,4-6,15,18H2,1-3H3,(H,34,38)