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

Systemtic Name: methyl 4-[(16-methoxy-16-oxidanylidene-hexadec-4-ynyl)amino]benzoate Openeye Name: methyl 4-[(16-methoxy-16-oxo-hexadec-4-ynyl)amino]benzoate CAS Name: 4-[(16-methoxy-16-oxohexadec-4-ynyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(16-methoxy-16-oxohexadec-4-ynyl)amino]benzoate Traditional Name: 4-[(16-keto-16-methoxy-hexadec-4-ynyl)amino]benzoic acid methyl ester Formula: C25H37NO4 MolecularWeight: 415.56558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCC#CCCCNC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

COC(=O)CCCCCCCCCCC#CCCCNC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C25H37NO4/c1-29-24(27)16-14-12-10-8-6-4-3-5-7-9-11-13-15-21-26-23-19-17-22(18-20-23)25(28)30-2/h17-20,26H,3-8,10,12-16,21H2,1-2H3