diethyl 2,5-bis[4-[[3-(aminomethyl)phenyl]methylcarbamoyloxy]but-2-ynoxy]benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2,5-bis[4-[[3-(aminomethyl)phenyl]methylcarbamoyloxy]but-2-ynoxy]benzene-1,4-dicarboxylate Openeye Name: diethyl 2,5-bis[4-[[3-(aminomethyl)phenyl]methylcarbamoyloxy]but-2-ynoxy]benzene-1,4-dicarboxylate CAS Name: 2,5-bis[4-[[[3-(aminomethyl)phenyl]methylamino]-oxomethoxy]but-2-ynoxy]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-bis[4-[[3-(aminomethyl)phenyl]methylcarbamoyloxy]but-2-ynoxy]benzene-1,4-dicarboxylate Traditional Name: 2,5-bis[4-[[3-(aminomethyl)benzyl]carbamoyloxy]but-2-ynoxy]benzene-1,4-dicarboxylic acid diethyl ester Formula: C38H42N4O10 MolecularWeight: 714.76088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1OCC#CCOC(=O)NCC2=CC=CC(=C2)CN)C(=O)OCC)OCC#CCOC(=O)NCC3=CC=CC(=C3)CN

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1OCC#CCOC(=O)NCC2=CC=CC(=C2)CN)C(=O)OCC)OCC#CCOC(=O)NCC3=CC=CC(=C3)CN

InChI

InChI=1S/C38H42N4O10/c1-3-47-35(43)31-21-34(50-16-6-8-18-52-38(46)42-26-30-14-10-12-28(20-30)24-40)32(36(44)48-4-2)22-33(31)49-15-5-7-17-51-37(45)41-25-29-13-9-11-27(19-29)23-39/h9-14,19-22H,3-4,15-18,23-26,39-40H2,1-2H3,(H,41,45)(H,42,46)