3-ethoxycarbonyl-5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]benzoic acid

Systemtic Name: 3-ethoxycarbonyl-5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]benzoic acid Openeye Name: 3-ethoxycarbonyl-5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]benzoic acid CAS Name: 3-ethoxycarbonyl-5-[oxo-[2-[4-(5-phenylpentoxy)phenyl]ethylamino]methyl]benzoic acid IUPAC Name: 3-ethoxycarbonyl-5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]benzoic acid Traditional Name: 3-carbethoxy-5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]benzoic acid Formula: C30H33NO6 MolecularWeight: 503.58612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)O)C(=O)NCCC2=CC=C(C=C2)OCCCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)O)C(=O)NCCC2=CC=C(C=C2)OCCCCCC3=CC=CC=C3

InChI

InChI=1S/C30H33NO6/c1-2-36-30(35)26-20-24(19-25(21-26)29(33)34)28(32)31-17-16-23-12-14-27(15-13-23)37-18-8-4-7-11-22-9-5-3-6-10-22/h3,5-6,9-10,12-15,19-21H,2,4,7-8,11,16-18H2,1H3,(H,31,32)(H,33,34)