[(3R,4R)-3-[(4-hydroxyphenyl)carbonylamino]azepan-4-yl] 4-(2-hydroxyphenyl)carbonylbenzoate

Systemtic Name: [(3R,4R)-3-[(4-hydroxyphenyl)carbonylamino]azepan-4-yl] 4-(2-hydroxyphenyl)carbonylbenzoate Openeye Name: [(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl] 4-(2-hydroxybenzoyl)benzoate CAS Name: 4-[(2-hydroxyphenyl)-oxomethyl]benzoic acid [(3R,4R)-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-azepanyl] ester IUPAC Name: [(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl] 4-(2-hydroxybenzoyl)benzoate Traditional Name: 4-salicyloylbenzoic acid [(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl] ester Formula: C27H26N2O6 MolecularWeight: 474.50514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CNC1)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4O

Isomeric SMILES

C1C[C@H]([C@@H](CNC1)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4O

InChI

InChI=1S/C27H26N2O6/c30-20-13-11-18(12-14-20)26(33)29-22-16-28-15-3-6-24(22)35-27(34)19-9-7-17(8-10-19)25(32)21-4-1-2-5-23(21)31/h1-2,4-5,7-14,22,24,28,30-31H,3,6,15-16H2,(H,29,33)/t22-,24-/m1/s1