2-[(2,3-diethoxyphenyl)carbonyl-[6-[(2,3-diethoxyphenyl)carbonyl-[6-[(2,3-diethoxyphenyl)carbonylamino]hexyl]amino]hexyl]amino]ethanoic acid

Systemtic Name: 2-[(2,3-diethoxyphenyl)carbonyl-[6-[(2,3-diethoxyphenyl)carbonyl-[6-[(2,3-diethoxyphenyl)carbonylamino]hexyl]amino]hexyl]amino]ethanoic acid Openeye Name: 2-[(2,3-diethoxybenzoyl)-[6-[(2,3-diethoxybenzoyl)-[6-[(2,3-diethoxybenzoyl)amino]hexyl]amino]hexyl]amino]acetic acid CAS Name: 2-[[(2,3-diethoxyphenyl)-oxomethyl]-[6-[[(2,3-diethoxyphenyl)-oxomethyl]-[6-[[(2,3-diethoxyphenyl)-oxomethyl]amino]hexyl]amino]hexyl]amino]acetic acid IUPAC Name: 2-[(2,3-diethoxybenzoyl)-[6-[(2,3-diethoxybenzoyl)-[6-[(2,3-diethoxybenzoyl)amino]hexyl]amino]hexyl]amino]acetic acid Traditional Name: 2-[(2,3-diethoxybenzoyl)-[6-[(2,3-diethoxybenzoyl)-[6-[(2,3-diethoxybenzoyl)amino]hexyl]amino]hexyl]amino]acetic acid Formula: C47H67N3O11 MolecularWeight: 850.04838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC)C(=O)NCCCCCCN(CCCCCCN(CC(=O)O)C(=O)C2=C(C(=CC=C2)OCC)OCC)C(=O)C3=C(C(=CC=C3)OCC)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1OCC)C(=O)NCCCCCCN(CCCCCCN(CC(=O)O)C(=O)C2=C(C(=CC=C2)OCC)OCC)C(=O)C3=C(C(=CC=C3)OCC)OCC

InChI

InChI=1S/C47H67N3O11/c1-7-56-38-27-21-24-35(42(38)59-10-4)45(53)48-30-17-13-14-18-31-49(46(54)36-25-22-28-39(57-8-2)43(36)60-11-5)32-19-15-16-20-33-50(34-41(51)52)47(55)37-26-23-29-40(58-9-3)44(37)61-12-6/h21-29H,7-20,30-34H2,1-6H3,(H,48,53)(H,51,52)