3-[2-(2-carboxyethyl)-6-[(3,4-dipentoxyphenyl)methoxy]phenyl]benzoic acid

Systemtic Name: 3-[2-(2-carboxyethyl)-6-[(3,4-dipentoxyphenyl)methoxy]phenyl]benzoic acid Openeye Name: 3-[2-(2-carboxyethyl)-6-[(3,4-dipentoxyphenyl)methoxy]phenyl]benzoic acid CAS Name: 3-[2-(2-carboxyethyl)-6-[(3,4-dipentoxyphenyl)methoxy]phenyl]benzoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-6-[(3,4-dipentoxyphenyl)methoxy]phenyl]benzoic acid Traditional Name: 3-[2-(2-carboxyethyl)-6-(3,4-diamoxybenzyl)oxy-phenyl]benzoic acid Formula: C33H40O7 MolecularWeight: 548.6665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)COC2=CC=CC(=C2C3=CC(=CC=C3)C(=O)O)CCC(=O)O)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)COC2=CC=CC(=C2C3=CC(=CC=C3)C(=O)O)CCC(=O)O)OCCCCC

InChI

InChI=1S/C33H40O7/c1-3-5-7-19-38-28-17-15-24(21-30(28)39-20-8-6-4-2)23-40-29-14-10-11-25(16-18-31(34)35)32(29)26-12-9-13-27(22-26)33(36)37/h9-15,17,21-22H,3-8,16,18-20,23H2,1-2H3,(H,34,35)(H,36,37)