3-[4-[2-[4-(2-ethoxycarbonylhexyl)phenoxy]ethylcarbamoyl]phenyl]benzoic acid

Systemtic Name: 3-[4-[2-[4-(2-ethoxycarbonylhexyl)phenoxy]ethylcarbamoyl]phenyl]benzoic acid Openeye Name: 3-[4-[2-[4-(2-ethoxycarbonylhexyl)phenoxy]ethylcarbamoyl]phenyl]benzoic acid CAS Name: 3-[4-[[2-[4-(2-ethoxycarbonylhexyl)phenoxy]ethylamino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 3-[4-[2-[4-(2-ethoxycarbonylhexyl)phenoxy]ethylcarbamoyl]phenyl]benzoic acid Traditional Name: 3-[4-[2-[4-(2-carbethoxyhexyl)phenoxy]ethylcarbamoyl]phenyl]benzoic acid Formula: C31H35NO6 MolecularWeight: 517.6127

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)O)C(=O)OCC

Isomeric SMILES

CCCCC(CC1=CC=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)O)C(=O)OCC

InChI

InChI=1S/C31H35NO6/c1-3-5-7-27(31(36)37-4-2)20-22-10-16-28(17-11-22)38-19-18-32-29(33)24-14-12-23(13-15-24)25-8-6-9-26(21-25)30(34)35/h6,8-17,21,27H,3-5,7,18-20H2,1-2H3,(H,32,33)(H,34,35)