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

Systemtic Name: 4-[4-[2-[4-(2-carboxyhexyl)phenoxy]ethylcarbamoyl]phenyl]benzoic acid Openeye Name: 4-[4-[2-[4-(2-carboxyhexyl)phenoxy]ethylcarbamoyl]phenyl]benzoic acid CAS Name: 4-[4-[[2-[4-(2-carboxyhexyl)phenoxy]ethylamino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 4-[4-[2-[4-(2-carboxyhexyl)phenoxy]ethylcarbamoyl]phenyl]benzoic acid Traditional Name: 4-[4-[2-[4-(2-carboxyhexyl)phenoxy]ethylcarbamoyl]phenyl]benzoic acid Formula: C29H31NO6 MolecularWeight: 489.55954

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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=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO6/c1-2-3-4-25(29(34)35)19-20-5-15-26(16-6-20)36-18-17-30-27(31)23-11-7-21(8-12-23)22-9-13-24(14-10-22)28(32)33/h5-16,25H,2-4,17-19H2,1H3,(H,30,31)(H,32,33)(H,34,35)