(1-ethoxy-1-oxidanylidene-propan-2-yl) 4-(13-phenyltridec-8-ynylamino)benzoate

Systemtic Name: (1-ethoxy-1-oxidanylidene-propan-2-yl) 4-(13-phenyltridec-8-ynylamino)benzoate Openeye Name: (2-ethoxy-1-methyl-2-oxo-ethyl) 4-(13-phenyltridec-8-ynylamino)benzoate CAS Name: 4-(13-phenyltridec-8-ynylamino)benzoic acid (1-ethoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-ethoxy-1-oxopropan-2-yl) 4-(13-phenyltridec-8-ynylamino)benzoate Traditional Name: 4-(13-phenyltridec-8-ynylamino)benzoic acid (2-ethoxy-2-keto-1-methyl-ethyl) ester Formula: C31H41NO4 MolecularWeight: 491.66154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC(=O)C1=CC=C(C=C1)NCCCCCCCC#CCCCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C)OC(=O)C1=CC=C(C=C1)NCCCCCCCC#CCCCCC2=CC=CC=C2

InChI

InChI=1S/C31H41NO4/c1-3-35-30(33)26(2)36-31(34)28-21-23-29(24-22-28)32-25-17-12-10-8-6-4-5-7-9-11-14-18-27-19-15-13-16-20-27/h13,15-16,19-24,26,32H,3-4,6,8-12,14,17-18,25H2,1-2H3