3-[(4-hydroxyphenyl)carbonylamino]-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-azepane-1-carboxylic acid

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-azepane-1-carboxylic acid Openeye Name: 3-[(4-hydroxybenzoyl)amino]-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-azepane-1-carboxylic acid CAS Name: 3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyazepane-1-carboxylic acid Traditional Name: 3-[(4-hydroxybenzoyl)amino]-4-[(E)-3-(4-hydroxyphenyl)acryloyl]oxy-azepane-1-carboxylic acid Formula: C23H24N2O7 MolecularWeight: 440.44586

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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)C=CC3=CC=C(C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O7/c26-17-8-3-15(4-9-17)5-12-21(28)32-20-2-1-13-25(23(30)31)14-19(20)24-22(29)16-6-10-18(27)11-7-16/h3-12,19-20,26-27H,1-2,13-14H2,(H,24,29)(H,30,31)/b12-5+