ethyl 2-[[1-ethanoyl-4-(4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosan-9-yl)naphthalen-2-yl]-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: ethyl 2-[[1-ethanoyl-4-(4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosan-9-yl)naphthalen-2-yl]-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: ethyl 2-[[1-acetyl-4-(4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosan-9-yl)-2-naphthyl]-(2-ethoxy-2-oxo-ethyl)amino]acetate CAS Name: 2-[[1-acetyl-4-(4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosan-9-yl)-2-naphthalenyl]-(2-ethoxy-2-oxoethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-acetyl-4-(4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosan-9-yl)naphthalen-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetate Traditional Name: 2-[[1-acetyl-4-(4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosan-9-yl)-2-naphthyl]-(2-ethoxy-2-keto-ethyl)amino]acetic acid ethyl ester Formula: C36H54N4O9 MolecularWeight: 686.83536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC(=O)OCC)C1=C(C2=CC=CC=C2C(=C1)C3COCCOCCN4CCNCCN3CCOCCOCC4)C(=O)C

Isomeric SMILES

CCOC(=O)CN(CC(=O)OCC)C1=C(C2=CC=CC=C2C(=C1)C3COCCOCCN4CCNCCN3CCOCCOCC4)C(=O)C

InChI

InChI=1S/C36H54N4O9/c1-4-48-34(42)25-40(26-35(43)49-5-2)32-24-31(29-8-6-7-9-30(29)36(32)28(3)41)33-27-47-23-22-45-18-15-38-12-10-37-11-13-39(33)16-19-46-21-20-44-17-14-38/h6-9,24,33,37H,4-5,10-23,25-27H2,1-3H3