bis[2-(3,4-dihexoxyphenyl)ethyl] (2S)-2-azanylpentanedioate

Systemtic Name: bis[2-(3,4-dihexoxyphenyl)ethyl] (2S)-2-azanylpentanedioate Openeye Name: bis[2-(3,4-dihexoxyphenyl)ethyl] (2S)-2-aminopentanedioate CAS Name: (2S)-2-aminopentanedioic acid bis[2-(3,4-dihexoxyphenyl)ethyl] ester IUPAC Name: bis[2-(3,4-dihexoxyphenyl)ethyl] (2S)-2-aminopentanedioate Traditional Name: (2S)-2-aminoglutaric acid bis[2-(3,4-dihexoxyphenyl)ethyl] ester Formula: C45H73NO8 MolecularWeight: 756.06302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)CCOC(=O)CCC(C(=O)OCCC2=CC(=C(C=C2)OCCCCCC)OCCCCCC)N)OCCCCCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)CCOC(=O)CC[C@@H](C(=O)OCCC2=CC(=C(C=C2)OCCCCCC)OCCCCCC)N)OCCCCCC

InChI

InChI=1S/C45H73NO8/c1-5-9-13-17-29-49-40-24-21-37(35-42(40)51-31-19-15-11-7-3)27-33-53-44(47)26-23-39(46)45(48)54-34-28-38-22-25-41(50-30-18-14-10-6-2)43(36-38)52-32-20-16-12-8-4/h21-22,24-25,35-36,39H,5-20,23,26-34,46H2,1-4H3/t39-/m0/s1