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

Systemtic Name: 3-[4-[2-[4-(2-carboxyhexyl)phenoxy]ethylcarbamoyl]phenyl]benzoic acid Openeye Name: 3-[4-[2-[4-(2-carboxyhexyl)phenoxy]ethylcarbamoyl]phenyl]benzoic acid CAS Name: 3-[4-[[2-[4-(2-carboxyhexyl)phenoxy]ethylamino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 3-[4-[2-[4-(2-carboxyhexyl)phenoxy]ethylcarbamoyl]phenyl]benzoic acid Traditional Name: 3-[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(=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO6/c1-2-3-5-24(28(32)33)18-20-8-14-26(15-9-20)36-17-16-30-27(31)22-12-10-21(11-13-22)23-6-4-7-25(19-23)29(34)35/h4,6-15,19,24H,2-3,5,16-18H2,1H3,(H,30,31)(H,32,33)(H,34,35)