(1-ethoxy-1-oxidanylidene-propan-2-yl) 4-(7-phenylhept-6-ynylamino)benzoate

Systemtic Name: (1-ethoxy-1-oxidanylidene-propan-2-yl) 4-(7-phenylhept-6-ynylamino)benzoate Openeye Name: (2-ethoxy-1-methyl-2-oxo-ethyl) 4-(7-phenylhept-6-ynylamino)benzoate CAS Name: 4-(7-phenylhept-6-ynylamino)benzoic acid (1-ethoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-ethoxy-1-oxopropan-2-yl) 4-(7-phenylhept-6-ynylamino)benzoate Traditional Name: 4-(7-phenylhept-6-ynylamino)benzoic acid (2-ethoxy-2-keto-1-methyl-ethyl) ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC(=O)C1=CC=C(C=C1)NCCCCCC#CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C)OC(=O)C1=CC=C(C=C1)NCCCCCC#CC2=CC=CC=C2

InChI

InChI=1S/C25H29NO4/c1-3-29-24(27)20(2)30-25(28)22-15-17-23(18-16-22)26-19-11-6-4-5-8-12-21-13-9-7-10-14-21/h7,9-10,13-18,20,26H,3-6,11,19H2,1-2H3