(4-ethoxy-4-oxidanylidene-butan-2-yl) 4-(heptadecylamino)benzoate

Systemtic Name: (4-ethoxy-4-oxidanylidene-butan-2-yl) 4-(heptadecylamino)benzoate Openeye Name: (3-ethoxy-1-methyl-3-oxo-propyl) 4-(heptadecylamino)benzoate CAS Name: 4-(heptadecylamino)benzoic acid (4-ethoxy-4-oxobutan-2-yl) ester IUPAC Name: (4-ethoxy-4-oxobutan-2-yl) 4-(heptadecylamino)benzoate Traditional Name: 4-(heptadecylamino)benzoic acid (3-ethoxy-3-keto-1-methyl-propyl) ester Formula: C30H51NO4 MolecularWeight: 489.73024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)CC(=O)OCC

InChI

InChI=1S/C30H51NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-31-28-22-20-27(21-23-28)30(33)35-26(3)25-29(32)34-5-2/h20-23,26,31H,4-19,24-25H2,1-3H3