3-[(4-hydroxyphenyl)carbonylamino]-4-(2-phenoxyphenyl)carbonyloxy-azepane-1-carboxylic acid

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-(2-phenoxyphenyl)carbonyloxy-azepane-1-carboxylic acid Openeye Name: 3-[(4-hydroxybenzoyl)amino]-4-(2-phenoxybenzoyl)oxy-azepane-1-carboxylic acid CAS Name: 3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[oxo-(2-phenoxyphenyl)methoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-(2-phenoxybenzoyl)oxyazepane-1-carboxylic acid Traditional Name: 3-[(4-hydroxybenzoyl)amino]-4-(2-phenoxybenzoyl)oxy-azepane-1-carboxylic acid Formula: C27H26N2O7 MolecularWeight: 490.50454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O7/c30-19-14-12-18(13-15-19)25(31)28-22-17-29(27(33)34)16-6-11-24(22)36-26(32)21-9-4-5-10-23(21)35-20-7-2-1-3-8-20/h1-5,7-10,12-15,22,24,30H,6,11,16-17H2,(H,28,31)(H,33,34)