ethyl 4-[(16-methoxy-16-oxidanylidene-hexadec-4-ynyl)amino]benzoate

Systemtic Name: ethyl 4-[(16-methoxy-16-oxidanylidene-hexadec-4-ynyl)amino]benzoate Openeye Name: ethyl 4-[(16-methoxy-16-oxo-hexadec-4-ynyl)amino]benzoate CAS Name: 4-[(16-methoxy-16-oxohexadec-4-ynyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(16-methoxy-16-oxohexadec-4-ynyl)amino]benzoate Traditional Name: 4-[(16-keto-16-methoxy-hexadec-4-ynyl)amino]benzoic acid ethyl ester Formula: C26H39NO4 MolecularWeight: 429.59216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCC#CCCCCCCCCCCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCC#CCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C26H39NO4/c1-3-31-26(29)23-18-20-24(21-19-23)27-22-16-14-12-10-8-6-4-5-7-9-11-13-15-17-25(28)30-2/h18-21,27H,3-9,11,13-17,22H2,1-2H3