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

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-(3-phenoxyphenyl)carbonyloxy-azepane-1-carboxylic acid Openeye Name: 3-[(4-hydroxybenzoyl)amino]-4-(3-phenoxybenzoyl)oxy-azepane-1-carboxylic acid CAS Name: 3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[oxo-(3-phenoxyphenyl)methoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-(3-phenoxybenzoyl)oxyazepane-1-carboxylic acid Traditional Name: 3-[(4-hydroxybenzoyl)amino]-4-(3-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=C3)OC4=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=C3)OC4=CC=CC=C4

InChI

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